9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H24N4O — CID 97007871

IUPAC9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccnc1[C@@H](NCc1cc(=O)n2cccc(C)c2n1)C(C)C
InChIInChI=1S/C20H24N4O/c1-13(2)18(19-14(3)7-5-9-21-19)22-12-16-11-17(25)24-10-6-8-15(4)20(24)23-16/h5-11,13,18,22H,12H2,1-4H3/t18-/m0/s1
InChIKeyHXKOUEVINUDXMU-SFHVURJKSA-N
MW336.44 g/mol
LogP3.19
Rot. Bonds5

About 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97007871) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID97007871
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccnc1[C@@H](NCc1cc(=O)n2cccc(C)c2n1)C(C)C
InChIInChI=1S/C20H24N4O/c1-13(2)18(19-14(3)7-5-9-21-19)22-12-16-11-17(25)24-10-6-8-15(4)20(24)23-16/h5-11,13,18,22H,12H2,1-4H3/t18-/m0/s1
InChIKeyHXKOUEVINUDXMU-SFHVURJKSA-N
XLogP3.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56781911
9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95613880
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 47028535
(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 97060115
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55357739
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62015199
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 46583586

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 97007871) is 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccnc1[C@@H](NCc1cc(=O)n2cccc(C)c2n1)C(C)C.
What is the InChIKey of 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HXKOUEVINUDXMU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(2)18(19-14(3)7-5-9-21-19)22-12-16-11-17(25)24-10-6-8-15(4)20(24)23-16/h5-11,13,18,22H,12H2,1-4H3/t18-/m0/s1.
What are the key properties of 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97007871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).