3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one

C14H11N3O — CID 71741640

IUPAC3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1ccc(-c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C14H11N3O/c15-11-6-4-10(5-7-11)12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H,15H2
InChIKeyMLZBHUYMTYUTLQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.94
Rot. Bonds1

About 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71741640) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71741640
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESNc1ccc(-c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C14H11N3O/c15-11-6-4-10(5-7-11)12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H,15H2
InChIKeyMLZBHUYMTYUTLQ-UHFFFAOYSA-N
XLogP1.94
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 141326779
1-(3,5-dichlorophenyl)-3-[4-(4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]urea
CID 46183806
3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 11499481
3-(4-aminophenyl)-9-hydroxy-8-iodopyrido[1,2-a]pyrimidin-4-one
CID 89049731
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120862809
3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
CID 101425986
3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 67812606
ethyl 3-methyl-5-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-2H-tetrazole-4-carboxylate
CID 67812032
3-(4-chlorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
CID 135045687

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one (CID 71741640) is 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one is Nc1ccc(-c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MLZBHUYMTYUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-11-6-4-10(5-7-11)12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H,15H2.
What are the key properties of 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 237.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).