9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one

C15H13N3O — CID 90666049

IUPAC9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
SMILESNc1cccn2cc(Cc3ccccc3)c(=O)nc12
InChIInChI=1S/C15H13N3O/c16-13-7-4-8-18-10-12(15(19)17-14(13)18)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2
InChIKeyRBRFGVKOWUIAHK-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.87
Rot. Bonds2

About 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one

9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666049) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
PubChem CID90666049
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
SMILESNc1cccn2cc(Cc3ccccc3)c(=O)nc12
InChIInChI=1S/C15H13N3O/c16-13-7-4-8-18-10-12(15(19)17-14(13)18)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2
InChIKeyRBRFGVKOWUIAHK-UHFFFAOYSA-N
XLogP1.87
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
6-Methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 610461
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide
CID 44782757
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
9-Amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160
9-Amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666161
9-Amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666162
1-Amino-4-phenyl-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
CID 162388441
Pyrido[1,2-a]pyrimidinyl-benzamide
CID 129841648

Frequently Asked Questions

What is the IUPAC name of 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one (CID 90666049) is 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one is Nc1cccn2cc(Cc3ccccc3)c(=O)nc12.
What is the InChIKey of 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is RBRFGVKOWUIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-13-7-4-8-18-10-12(15(19)17-14(13)18)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2.
What are the key properties of 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one?
9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-benzylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).