8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile

C16H15N3O — CID 834351

IUPAC8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCc1cc2n(c(=O)c1C#N)CCCN2c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-10-15-18(13-6-3-2-4-7-13)8-5-9-19(15)16(20)14(12)11-17/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyLESQMKQWQMZHFV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.57
Rot. Bonds1

About 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile

8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile (PubChem CID 834351) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile
PubChem CID834351
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCc1cc2n(c(=O)c1C#N)CCCN2c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-10-15-18(13-6-3-2-4-7-13)8-5-9-19(15)16(20)14(12)11-17/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyLESQMKQWQMZHFV-UHFFFAOYSA-N
XLogP2.57
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile?
The IUPAC name of 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile (CID 834351) is 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile?
The canonical SMILES for 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile is Cc1cc2n(c(=O)c1C#N)CCCN2c1ccccc1.
What is the InChIKey of 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile?
The InChIKey is LESQMKQWQMZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-10-15-18(13-6-3-2-4-7-13)8-5-9-19(15)16(20)14(12)11-17/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile?
8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-oxo-1-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).