5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one

C7H10ClN3O3S — CID 114582593

IUPAC5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O3S/c1-15(13,14)3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3
InChIKeyFRCXUSXWURCOLB-UHFFFAOYSA-N
MW251.69 g/mol
LogP-0.48
Rot. Bonds3

About 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one (PubChem CID 114582593) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
PubChem CID114582593
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H10ClN3O3S/c1-15(13,14)3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3
InChIKeyFRCXUSXWURCOLB-UHFFFAOYSA-N
XLogP-0.48
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-6-chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728643
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-(2-methylsulfonylethyl)pyrimidin-4-one
CID 114582156
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-methylsulfanylpropyl)pyrimidin-4-one
CID 114582566
5-Amino-6-chloro-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 114582662
5-Amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
CID 114582713
5-Amino-6-chloro-3-(3-ethylsulfanylpropyl)pyrimidin-4-one
CID 114582735
5-Amino-6-chloro-3-(2-ethylsulfanylethyl)pyrimidin-4-one
CID 114582807
5-Amino-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114582840

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one (CID 114582593) is 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one is CS(=O)(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The InChIKey is FRCXUSXWURCOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c1-15(13,14)3-2-11-4-10-6(8)5(9)7(11)12/h4H,2-3,9H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one has a molecular weight of 251.69 g/mol, XLogP of -0.48, 3 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-(2-methylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).