2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112928067

IUPAC2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Nc2cc(C)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN4/c1-12-8-9-13(2)17(10-12)22-18-11-14(3)21-19(24-18)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyKOPIPWZQOCTMAA-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.54
Rot. Bonds4

About 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928067) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928067
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Nc2cc(C)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN4/c1-12-8-9-13(2)17(10-12)22-18-11-14(3)21-19(24-18)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyKOPIPWZQOCTMAA-UHFFFAOYSA-N
XLogP5.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916812
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928110
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927340
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418
4-N-(2,5-dimethylphenyl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928074

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928067) is 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1ccc(C)c(Nc2cc(C)nc(Nc3ccccc3Cl)n2)c1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KOPIPWZQOCTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-12-8-9-13(2)17(10-12)22-18-11-14(3)21-19(24-18)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).