5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one

C11H16ClN3O — CID 136973911

IUPAC5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(Nc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7-3-2-4-8(5-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyYRJZKUZPVCECFX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.41
Rot. Bonds2

About 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136973911) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136973911
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(Nc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7-3-2-4-8(5-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyYRJZKUZPVCECFX-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
5-chloro-4-[(4-ethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136974790
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136977546
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353
5-chloro-4-[methyl-(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137009267
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
CID 136975932
5-chloro-4-[(3-chloro-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 137001404
ethyl 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 136973814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136973911) is 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one is CC1CCCC(Nc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YRJZKUZPVCECFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-3-2-4-8(5-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).