2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H12N2OS — CID 10779985

IUPAC2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(-c3csc4ccccc34)cc(=O)n12
InChIInChI=1S/C17H12N2OS/c1-11-5-4-8-16-18-14(9-17(20)19(11)16)13-10-21-15-7-3-2-6-12(13)15/h2-10H,1H3
InChIKeyXSGIWPBXPYCWIE-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.88
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one

2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10779985) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10779985
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(-c3csc4ccccc34)cc(=O)n12
InChIInChI=1S/C17H12N2OS/c1-11-5-4-8-16-18-14(9-17(20)19(11)16)13-10-21-15-7-3-2-6-12(13)15/h2-10H,1H3
InChIKeyXSGIWPBXPYCWIE-UHFFFAOYSA-N
XLogP3.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 10779985) is 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(-c3csc4ccccc34)cc(=O)n12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XSGIWPBXPYCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-5-4-8-16-18-14(9-17(20)19(11)16)13-10-21-15-7-3-2-6-12(13)15/h2-10H,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 292.36 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10779985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).