4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C18H17ClN4 — CID 112926921

IUPAC4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17ClN4/c1-12-8-9-14(19)11-16(12)22-17-10-13(2)20-18(23-17)21-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZCJWUIYOQUFUQA-UHFFFAOYSA-N
MW324.82 g/mol
LogP5.23
Rot. Bonds4

About 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926921) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112926921
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17ClN4/c1-12-8-9-14(19)11-16(12)22-17-10-13(2)20-18(23-17)21-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyZCJWUIYOQUFUQA-UHFFFAOYSA-N
XLogP5.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.82
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926979
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927340
1-[3-[[4-(5-chloro-2-methylanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112929961
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920229
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916685
4-[[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930011
N-[3-[[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112929995
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
2-N-(5-chloro-2-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907473
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928067
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112926921) is 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(Cl)ccc2C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is ZCJWUIYOQUFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12-8-9-14(19)11-16(12)22-17-10-13(2)20-18(23-17)21-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 324.82 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).