N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine

C13H14ClN3O — CID 734476

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(C)cc(C)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10/h4-7H,1-3H3,(H,15,16,17)
InChIKeyGZXUNNPUHJWXFL-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.50
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine

N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 734476) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID734476
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(C)cc(C)n2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10/h4-7H,1-3H3,(H,15,16,17)
InChIKeyGZXUNNPUHJWXFL-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine 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-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
2-(3-chloro-4-methoxyanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335958
4-N-(3-chloro-4-methoxyphenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930282
methyl 3-[[4-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930268
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928254
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine (CID 734476) is N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine is COc1ccc(Nc2nc(C)cc(C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GZXUNNPUHJWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-6-9(2)16-13(15-8)17-10-4-5-12(18-3)11(14)7-10/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 734476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).