9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H21N5O — CID 95613880

IUPAC9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN[C@H](C)[C@@H](C)n3cccn3)nc12
InChIInChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyPKVNTACNHIWNBP-ZIAGYGMSSA-N
MW311.39 g/mol
LogP1.94
Rot. Bonds5

About 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95613880) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95613880
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN[C@H](C)[C@@H](C)n3cccn3)nc12
InChIInChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3/t13-,14-/m1/s1
InChIKeyPKVNTACNHIWNBP-ZIAGYGMSSA-N
XLogP1.94
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]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-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97007871
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
(2S,3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277581
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
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
(2R,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345368
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
(2S,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345367
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 47028535
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95613880) is 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN[C@H](C)[C@@H](C)n3cccn3)nc12.
What is the InChIKey of 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PKVNTACNHIWNBP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95613880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).