Substance
- Substance Name: 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
- Formula: C14H18N4O3
- Molecular Weight: 290.32 g/mol
- Identifiers:
- casrn: 738-70-5
- pubchemId: 5578
- iupacname: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- inchi: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
- inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
- csmiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
- ismiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
- wikidataId: Q422665
- chemspiderId: 5376
- dsstoxcmpId: DTXCID803712
- chemblId: CHEMBL22
- ecnumber: 212-006-2
2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
Systems and Datasets
- ethyl acetate + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.5b00616 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- + water (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.5b00616 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- acetonitrile + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.5b00616 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- methanol + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 1 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- 1-propanol + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 3 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- 1-butanol + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 5 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- dl-2-butanol + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 6 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- tetrahydrofuran + 2,4-pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- (Datasets: 1)
- Dataset 8 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- ethanol + 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.5b00616 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Dataset 2 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 13, Quantity: Mole fraction)
- propan-2-ol + 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (Datasets: 2)
- Dataset 3 in paper 10.1021/acs.jced.5b00616 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Dataset 4 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 12, Quantity: Mole fraction)
- ethanol + 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine + water (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.5b00616 (Dataseries: 6, Datapoints: 42, Quantity: Mole fraction)
- propan-2-ol + 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine + water (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.5b00616 (Dataseries: 6, Datapoints: 42, Quantity: Mole fraction)
- acetone + 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (Datasets: 1)
- Dataset 7 in paper 10.1021/je700497h (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)