2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine

C11H16ClN3 — CID 82460547

IUPAC2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCC2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3/c1-2-8-7-10(15-11(12)14-8)13-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPWNVWKRVNUZQLF-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.05
Rot. Bonds3

About 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine

2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine (PubChem CID 82460547) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
PubChem CID82460547
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCC2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3/c1-2-8-7-10(15-11(12)14-8)13-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyPWNVWKRVNUZQLF-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82460532
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 133461679
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
CID 82460935
[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 133472420
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
CID 82460542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine (CID 82460547) is 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine is CCc1cc(NC2CCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine?
The InChIKey is PWNVWKRVNUZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-8-7-10(15-11(12)14-8)13-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine?
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 82460547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).