4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine

C21H22N4S — CID 57046869

IUPAC4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccccc3C)nc3c2CSC3)c(C)c1
InChIInChI=1S/C21H22N4S/c1-13-8-9-18(15(3)10-13)22-20-16-11-26-12-19(16)24-21(25-20)23-17-7-5-4-6-14(17)2/h4-10H,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyAJJAMZFGYOZYBD-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.64
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine

4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine (PubChem CID 57046869) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
PubChem CID57046869
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccccc3C)nc3c2CSC3)c(C)c1
InChIInChI=1S/C21H22N4S/c1-13-8-9-18(15(3)10-13)22-20-16-11-26-12-19(16)24-21(25-20)23-17-7-5-4-6-14(17)2/h4-10H,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyAJJAMZFGYOZYBD-UHFFFAOYSA-N
XLogP5.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine;hydrochloride
CID 67948635
4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
CID 67948639
4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321428
2-N-(4-fluoro-2-methylphenyl)-4-N-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 15757809
6-methyl-2-N,4-N-bis(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 3119600
2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 767373
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
5-chloro-2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;2-N-(2,4-dimethylphenyl)-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine);ethane
CID 159565488
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903250
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine (CID 57046869) is 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(Nc3ccccc3C)nc3c2CSC3)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is AJJAMZFGYOZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-13-8-9-18(15(3)10-13)22-20-16-11-26-12-19(16)24-21(25-20)23-17-7-5-4-6-14(17)2/h4-10H,11-12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 362.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57046869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).