9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C20H22N4O2 — CID 122179694

IUPAC9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-15-4-6-17(7-5-15)21-14-16-3-2-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeyJSAYSLWCCIFDJN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds4

About 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179694) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179694
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-15-4-6-17(7-5-15)21-14-16-3-2-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeyJSAYSLWCCIFDJN-UHFFFAOYSA-N
XLogP2.45
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sar-260301
CID 135565159
Tgx-221
CID 9907093
(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 51601993
2-[4-(Morpholin-4-Yl)-6-Oxo-1,6-Dihydropyrimidin-2-Yl]-N-Phenylacetamide
CID 135566741
7-methyl-2-morpholin-4-yl-9-[[(1R)-1-phenylethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 10021687
9-(Benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 10269329
7-Methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 11428504
N-(3,4-difluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854022
2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
CID 49854121
7-Methyl-9-(2-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 57798309
7-methyl-2-morpholin-4-yl-9-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 59753763
9-[1-(3,5-Difluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839776

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179694) is 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JSAYSLWCCIFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-4-6-17(7-5-15)21-14-16-3-2-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).