1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one

C10H7ClN2O2S — CID 62018063

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O2S/c11-9-3-2-8(16-9)7(14)6-13-5-1-4-12-10(13)15/h1-5H,6H2
InChIKeyRWFVSIGJUMBVGO-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 62018063) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID62018063
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O2S/c11-9-3-2-8(16-9)7(14)6-13-5-1-4-12-10(13)15/h1-5H,6H2
InChIKeyRWFVSIGJUMBVGO-UHFFFAOYSA-N
XLogP1.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one (CID 62018063) is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is RWFVSIGJUMBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-9-3-2-8(16-9)7(14)6-13-5-1-4-12-10(13)15/h1-5H,6H2.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 254.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 62018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).