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

C16H15N3O — CID 60671462

IUPAC2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-10,17H,11H2,1H3
InChIKeyAUDLWGOWXZPGQD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds3

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

2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671462) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671462
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-10,17H,11H2,1H3
InChIKeyAUDLWGOWXZPGQD-UHFFFAOYSA-N
XLogP2.62
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061
4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]benzonitrile
CID 60672959
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
CID 86930979
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 102805071
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 87029682
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671462) is 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(NCc2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AUDLWGOWXZPGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-10,17H,11H2,1H3.
What are the key properties of 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).