4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C12H13ClN4O — CID 56921023

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H13ClN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyIRDDPFLTAOUWCW-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.77
Rot. Bonds3

About 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 56921023) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID56921023
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H13ClN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyIRDDPFLTAOUWCW-UHFFFAOYSA-N
XLogP2.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-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

4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
CID 80648357
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
N-[4-[[4-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112930326
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 56921023) is 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1cc(C)nc(N)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is IRDDPFLTAOUWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 56921023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).