2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one

C15H13N3O — CID 2314144

IUPAC2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3O/c19-15-10-13(16-11-12-6-2-1-3-7-12)17-14-8-4-5-9-18(14)15/h1-10,16H,11H2
InChIKeyZRWBHKXIXMTWJN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.31
Rot. Bonds3

About 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one

2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2314144) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID2314144
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3O/c19-15-10-13(16-11-12-6-2-1-3-7-12)17-14-8-4-5-9-18(14)15/h1-10,16H,11H2
InChIKeyZRWBHKXIXMTWJN-UHFFFAOYSA-N
XLogP2.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one (CID 2314144) is 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(NCc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZRWBHKXIXMTWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-10-13(16-11-12-6-2-1-3-7-12)17-14-8-4-5-9-18(14)15/h1-10,16H,11H2.
What are the key properties of 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one?
2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).