2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one

C18H14N2OS — CID 10686105

IUPAC2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n2c(=O)cc(-c3csc4ccccc34)nc2c1
InChIInChI=1S/C18H14N2OS/c1-11-7-12(2)20-17(8-11)19-15(9-18(20)21)14-10-22-16-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyNMYVDRITADVBDM-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.19
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one

2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10686105) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10686105
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n2c(=O)cc(-c3csc4ccccc34)nc2c1
InChIInChI=1S/C18H14N2OS/c1-11-7-12(2)20-17(8-11)19-15(9-18(20)21)14-10-22-16-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyNMYVDRITADVBDM-UHFFFAOYSA-N
XLogP4.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.19
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)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 10686105) is 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)n2c(=O)cc(-c3csc4ccccc34)nc2c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NMYVDRITADVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-11-7-12(2)20-17(8-11)19-15(9-18(20)21)14-10-22-16-6-4-3-5-13(14)16/h3-10H,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
2-(1-benzothiophen-3-yl)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 306.39 g/mol, XLogP of 4.19, 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)-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10686105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).