6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine

C18H23ClN4 — CID 112869075

IUPAC6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H23ClN4/c1-12-10-14(19)8-9-16(12)23-18-11-17(20-13(2)21-18)22-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H2,20,21,22,23)
InChIKeyIGXWKERIYXMMHI-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.24
Rot. Bonds4

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

6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112869075) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
PubChem CID112869075
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H23ClN4/c1-12-10-14(19)8-9-16(12)23-18-11-17(20-13(2)21-18)22-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H2,20,21,22,23)
InChIKeyIGXWKERIYXMMHI-UHFFFAOYSA-N
XLogP5.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869121
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603
2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910587
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine (CID 112869075) is 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(Cl)cc2C)cc(NC2CCCCC2)n1.
What is the InChIKey of 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is IGXWKERIYXMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-12-10-14(19)8-9-16(12)23-18-11-17(20-13(2)21-18)22-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine?
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 330.86 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).