2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine

C12H12ClN3O — CID 55080697

IUPAC2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeySHQSNRKLFUVGBC-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine

2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 55080697) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID55080697
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeySHQSNRKLFUVGBC-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-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-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
N-(2-methoxyphenyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 22732468
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 55080697) is 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccccc1Nc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is SHQSNRKLFUVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 55080697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).