9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile

C14H9N3OS — CID 132511398

IUPAC9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1cccn2c(=O)c(C#N)c(-c3cccs3)nc12
InChIInChI=1S/C14H9N3OS/c1-9-4-2-6-17-13(9)16-12(10(8-15)14(17)18)11-5-3-7-19-11/h2-7H,1H3
InChIKeyIIQZWOPHDPIGHB-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.60
Rot. Bonds1

About 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile

9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 132511398) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID132511398
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1cccn2c(=O)c(C#N)c(-c3cccs3)nc12
InChIInChI=1S/C14H9N3OS/c1-9-4-2-6-17-13(9)16-12(10(8-15)14(17)18)11-5-3-7-19-11/h2-7H,1H3
InChIKeyIIQZWOPHDPIGHB-UHFFFAOYSA-N
XLogP2.60
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile (CID 132511398) is 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile is Cc1cccn2c(=O)c(C#N)c(-c3cccs3)nc12.
What is the InChIKey of 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is IIQZWOPHDPIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-9-4-2-6-17-13(9)16-12(10(8-15)14(17)18)11-5-3-7-19-11/h2-7H,1H3.
What are the key properties of 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile?
9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 132511398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).