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

C8H12ClN3O3S — CID 114582713

IUPAC5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
SMILESCCS(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O3S/c1-2-16(14,15)4-3-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3
InChIKeyVWOFQKAMYHPLEX-UHFFFAOYSA-N
MW265.72 g/mol
LogP-0.09
Rot. Bonds4

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

5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one (PubChem CID 114582713) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
PubChem CID114582713
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
SMILESCCS(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O3S/c1-2-16(14,15)4-3-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3
InChIKeyVWOFQKAMYHPLEX-UHFFFAOYSA-N
XLogP-0.09
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728640
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
5,6-Dichloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728646
6-Chloro-5-iodo-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728651
6-Chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
CID 114582276
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-(2-methylsulfonylethyl)pyrimidin-4-one
CID 114582593
5-Amino-6-chloro-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 114582662

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one (CID 114582713) is 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one is CCS(=O)(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one?
The InChIKey is VWOFQKAMYHPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-2-16(14,15)4-3-12-5-11-7(9)6(10)8(12)13/h5H,2-4,10H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one has a molecular weight of 265.72 g/mol, XLogP of -0.09, 4 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-ethylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).