4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C18H24N4 — CID 112924879

IUPAC4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-13-17(20-15-9-5-2-3-6-10-15)22-18(19-14)21-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyDNBDHGGNJJSEEU-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.66
Rot. Bonds4

About 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112924879) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112924879
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-13-17(20-15-9-5-2-3-6-10-15)22-18(19-14)21-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyDNBDHGGNJJSEEU-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112924879) is 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCCC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is DNBDHGGNJJSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-13-17(20-15-9-5-2-3-6-10-15)22-18(19-14)21-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).