2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C16H22N4 — CID 112907159

IUPAC2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H22N4/c1-10(2)17-15-9-12(4)18-16(20-15)19-14-8-6-7-11(3)13(14)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyZCCVKGIBBGTJPW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.97
Rot. Bonds4

About 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112907159) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112907159
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C16H22N4/c1-10(2)17-15-9-12(4)18-16(20-15)19-14-8-6-7-11(3)13(14)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyZCCVKGIBBGTJPW-UHFFFAOYSA-N
XLogP3.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907174
4-N-(2,3-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916816
4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928546
2-N-(3-bromophenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928496
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928552
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919468
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112907159) is 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is ZCCVKGIBBGTJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10(2)17-15-9-12(4)18-16(20-15)19-14-8-6-7-11(3)13(14)5/h6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).