4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

C20H28N4 — CID 112924888

IUPAC4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCCC2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H28N4/c1-14-10-11-18(12-15(14)2)23-20-21-16(3)13-19(24-20)22-17-8-6-4-5-7-9-17/h10-13,17H,4-9H2,1-3H3,(H2,21,22,23,24)
InChIKeyKSDDFKCTZMGJGR-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.28
Rot. Bonds4

About 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112924888) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112924888
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCCC2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H28N4/c1-14-10-11-18(12-15(14)2)23-20-21-16(3)13-19(24-20)22-17-8-6-4-5-7-9-17/h10-13,17H,4-9H2,1-3H3,(H2,21,22,23,24)
InChIKeyKSDDFKCTZMGJGR-UHFFFAOYSA-N
XLogP5.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112924888) is 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCCC2)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KSDDFKCTZMGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-14-10-11-18(12-15(14)2)23-20-21-16(3)13-19(24-20)22-17-8-6-4-5-7-9-17/h10-13,17H,4-9H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).