4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine

C18H24N4 — CID 112868692

IUPAC4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CCCC2)nc(C)n1
InChIInChI=1S/C18H24N4/c1-3-14-8-4-7-11-16(14)22-18-12-17(19-13(2)20-18)21-15-9-5-6-10-15/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyMZXNBSQSOGUFQE-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.45
Rot. Bonds5

About 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112868692) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112868692
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CCCC2)nc(C)n1
InChIInChI=1S/C18H24N4/c1-3-14-8-4-7-11-16(14)22-18-12-17(19-13(2)20-18)21-15-9-5-6-10-15/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyMZXNBSQSOGUFQE-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867547
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
4-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877571
N-(2-ethylphenyl)-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875594
4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869121
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112868692) is 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(NC2CCCC2)nc(C)n1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is MZXNBSQSOGUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-14-8-4-7-11-16(14)22-18-12-17(19-13(2)20-18)21-15-9-5-6-10-15/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112868692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).