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

C11H16ClN3O3S — CID 114582517

IUPAC5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
SMILESCS(=O)(=O)C1CCCC(n2cnc(Cl)c(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O3S/c1-19(17,18)8-4-2-3-7(5-8)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyUGYBXKNCFDMGMW-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.01
Rot. Bonds2

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

5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one (PubChem CID 114582517) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
PubChem CID114582517
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
SMILESCS(=O)(=O)C1CCCC(n2cnc(Cl)c(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O3S/c1-19(17,18)8-4-2-3-7(5-8)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyUGYBXKNCFDMGMW-UHFFFAOYSA-N
XLogP1.01
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-6-chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728644
5-Amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
CID 106728645
6-Chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
CID 113604202
5-Amino-6-chloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114582458
5-Amino-6-chloro-3-(1,1-dioxothiolan-3-yl)pyrimidin-4-one
CID 114582466
5-Amino-6-chloro-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 114582662
5,6-Dichloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
CID 114582945
5-Bromo-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
CID 114583373
6-Chloro-5-iodo-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
CID 114583800

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one (CID 114582517) is 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one is CS(=O)(=O)C1CCCC(n2cnc(Cl)c(N)c2=O)C1.
What is the InChIKey of 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one?
The InChIKey is UGYBXKNCFDMGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-19(17,18)8-4-2-3-7(5-8)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-(3-methylsulfonylcyclohexyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one has a molecular weight of 305.79 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114582517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).