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

C12H13ClN4O — CID 174775792

IUPAC6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(Cl)cc2OC)nc(N)n1
InChIInChI=1S/C12H13ClN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyOTBLJFVOLGBKDW-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.43
Rot. Bonds3

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

6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 174775792) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID174775792
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(Cl)cc2OC)nc(N)n1
InChIInChI=1S/C12H13ClN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyOTBLJFVOLGBKDW-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189659
2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
CID 11406086
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
4-N-(2-aminoethyl)-6-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 143609875
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 158829266
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189196
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 174775792) is 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc(Cl)cc2OC)nc(N)n1.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OTBLJFVOLGBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 174775792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).