6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H22ClN3 — CID 80949356

IUPAC6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCN(c1cc(Cl)nc(C2CC2)n1)C1CCCCC1
InChIInChI=1S/C15H22ClN3/c1-2-19(12-6-4-3-5-7-12)14-10-13(16)17-15(18-14)11-8-9-11/h10-12H,2-9H2,1H3
InChIKeyLUMNXCGUQRIDMS-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.17
Rot. Bonds4

About 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80949356) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80949356
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCN(c1cc(Cl)nc(C2CC2)n1)C1CCCCC1
InChIInChI=1S/C15H22ClN3/c1-2-19(12-6-4-3-5-7-12)14-10-13(16)17-15(18-14)11-8-9-11/h10-12H,2-9H2,1H3
InChIKeyLUMNXCGUQRIDMS-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113400832
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80953404
6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80953380
N-butyl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80948383
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951461
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
4-(chloromethyl)-N-cyclopentyl-N,6-diethylpyridin-2-amine
CID 113380658

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80949356) is 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCN(c1cc(Cl)nc(C2CC2)n1)C1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is LUMNXCGUQRIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-2-19(12-6-4-3-5-7-12)14-10-13(16)17-15(18-14)11-8-9-11/h10-12H,2-9H2,1H3.
What are the key properties of 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).