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

C20H22N4O2 — CID 122179707

IUPAC7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)21-17-11-15(2)13-24-19(25)12-18(22-20(17)24)23-7-9-26-10-8-23/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyBSIBVUATPIYADV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.89
Rot. Bonds3

About 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179707) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179707
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)21-17-11-15(2)13-24-19(25)12-18(22-20(17)24)23-7-9-26-10-8-23/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyBSIBVUATPIYADV-UHFFFAOYSA-N
XLogP2.89
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
9-[1-(4-Fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839794
7-Methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
7-Methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 68547896

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179707) is 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BSIBVUATPIYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)21-17-11-15(2)13-24-19(25)12-18(22-20(17)24)23-7-9-26-10-8-23/h3-6,11-13,21H,7-10H2,1-2H3.
What are the key properties of 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(4-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).