4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine

C11H16ClN3 — CID 163247764

IUPAC4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine
SMILESCC1(c2cc(Cl)nc(N)n2)CCCCC1
InChIInChI=1S/C11H16ClN3/c1-11(5-3-2-4-6-11)8-7-9(12)15-10(13)14-8/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyFHMWZYWBCDUAMR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.93
Rot. Bonds1

About 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine

4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine (PubChem CID 163247764) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine
PubChem CID163247764
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine
SMILESCC1(c2cc(Cl)nc(N)n2)CCCCC1
InChIInChI=1S/C11H16ClN3/c1-11(5-3-2-4-6-11)8-7-9(12)15-10(13)14-8/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyFHMWZYWBCDUAMR-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138
4-Chloro-6-(1,1-dimethylethyl)pyrimidine
CID 4289243
4-Chloro-6-cyclopropyl-2-pyrimidinamine
CID 21846358
4-Chloro-6-cyclohexylpyrimidine
CID 22308476
2-Amino-4-chloro-6-ethylpyrimidine
CID 22324304
4-Chloro-2-methyl-6-(propan-2-yl)pyrimidine
CID 25220467
4-Tert-butyl-6-chloro-2-(propan-2-yl)pyrimidine
CID 43557555
4-Chloro-2,6-bis(propan-2-yl)pyrimidine
CID 43557629
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
2,4-Dichloro-6-cyclobutylpyrimidine
CID 66521188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine (CID 163247764) is 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine is CC1(c2cc(Cl)nc(N)n2)CCCCC1.
What is the InChIKey of 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine?
The InChIKey is FHMWZYWBCDUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-11(5-3-2-4-6-11)8-7-9(12)15-10(13)14-8/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine?
4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 163247764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).