2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C19H20N4O — CID 71711544

IUPAC2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1
InChIInChI=1S/C19H20N4O/c1-14-3-2-4-15(11-14)17-12-19(24)23-13-16(5-6-18(23)21-17)22-9-7-20-8-10-22/h2-6,11-13,20H,7-10H2,1H3
InChIKeyLPVINKFHTVYDON-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.08
Rot. Bonds2

About 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71711544) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71711544
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1
InChIInChI=1S/C19H20N4O/c1-14-3-2-4-15(11-14)17-12-19(24)23-13-16(5-6-18(23)21-17)22-9-7-20-8-10-22/h2-6,11-13,20H,7-10H2,1H3
InChIKeyLPVINKFHTVYDON-UHFFFAOYSA-N
XLogP2.08
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 71711544) is 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LPVINKFHTVYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-3-2-4-15(11-14)17-12-19(24)23-13-16(5-6-18(23)21-17)22-9-7-20-8-10-22/h2-6,11-13,20H,7-10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 320.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71711544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).