(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

C15H18N4O — CID 13492195

IUPAC(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CC/C(=C2/CCCN2C)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C15H18N4O/c1-10-5-6-12(13-4-3-7-18(13)2)14-17-9-11(8-16)15(20)19(10)14/h9-10H,3-7H2,1-2H3/b13-12+
InChIKeyBCHPMCOTKCISOH-OUKQBFOZSA-N
MW270.34 g/mol
LogP1.91
Rot. Bonds

About (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 13492195) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID13492195
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CC/C(=C2/CCCN2C)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C15H18N4O/c1-10-5-6-12(13-4-3-7-18(13)2)14-17-9-11(8-16)15(20)19(10)14/h9-10H,3-7H2,1-2H3/b13-12+
InChIKeyBCHPMCOTKCISOH-OUKQBFOZSA-N
XLogP1.91
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 134875553
(9E)-9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 15570128
9-(dimethylaminomethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 53633444

Frequently Asked Questions

What is the IUPAC name of (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 13492195) is (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is CC1CC/C(=C2/CCCN2C)c2ncc(C#N)c(=O)n21.
What is the InChIKey of (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is BCHPMCOTKCISOH-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-5-6-12(13-4-3-7-18(13)2)14-17-9-11(8-16)15(20)19(10)14/h9-10H,3-7H2,1-2H3/b13-12+.
What are the key properties of (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
(9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-6-methyl-9-(1-methylpyrrolidin-2-ylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 13492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).