4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

C18H23ClN4O — CID 112910612

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN4O/c1-12-10-17(21-14-8-9-16(24-2)15(19)11-14)23-18(20-12)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,20,21,22,23)
InChIKeyQLPSJJACQNITEH-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.94
Rot. Bonds5

About 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112910612) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID112910612
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN4O/c1-12-10-17(21-14-8-9-16(24-2)15(19)11-14)23-18(20-12)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,20,21,22,23)
InChIKeyQLPSJJACQNITEH-UHFFFAOYSA-N
XLogP4.94
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 157445114
2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112909948
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907619
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
N-[4-[[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 53048243
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (CID 112910612) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is QLPSJJACQNITEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12-10-17(21-14-8-9-16(24-2)15(19)11-14)23-18(20-12)22-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 346.86 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).