5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one

C11H16ClN3O — CID 114582731

IUPAC5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one
SMILESCC1CCC(n2cnc(Cl)c(N)c2=O)CC1
InChIInChI=1S/C11H16ClN3O/c1-7-2-4-8(5-3-7)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyOWXJMSWLTWZJLF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds1

About 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one

5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one (PubChem CID 114582731) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one
PubChem CID114582731
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one
SMILESCC1CCC(n2cnc(Cl)c(N)c2=O)CC1
InChIInChI=1S/C11H16ClN3O/c1-7-2-4-8(5-3-7)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyOWXJMSWLTWZJLF-UHFFFAOYSA-N
XLogP2.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one (CID 114582731) is 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one is CC1CCC(n2cnc(Cl)c(N)c2=O)CC1.
What is the InChIKey of 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one?
The InChIKey is OWXJMSWLTWZJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-2-4-8(5-3-7)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one?
5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114582731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).