3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C19H25N3O2 — CID 97007915

IUPAC3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H]3CC(C)(C)C)cnc2c1
InChIInChI=1S/C19H25N3O2/c1-13-7-9-22-16(10-13)20-12-15(18(22)24)17(23)21-8-5-6-14(21)11-19(2,3)4/h7,9-10,12,14H,5-6,8,11H2,1-4H3/t14-/m0/s1
InChIKeyZGTPQMBRTVSLSY-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.04
Rot. Bonds2

About 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 97007915) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID97007915
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H]3CC(C)(C)C)cnc2c1
InChIInChI=1S/C19H25N3O2/c1-13-7-9-22-16(10-13)20-12-15(18(22)24)17(23)21-8-5-6-14(21)11-19(2,3)4/h7,9-10,12,14H,5-6,8,11H2,1-4H3/t14-/m0/s1
InChIKeyZGTPQMBRTVSLSY-AWEZNQCLSA-N
XLogP3.04
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007914
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119649095
ethyl (2R)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylate
CID 124627692
(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119113428
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97098200
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
(3aS,6aR)-2-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683779
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 120660168
N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111542899
3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 127316122

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 97007915) is 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(C(=O)N3CCC[C@H]3CC(C)(C)C)cnc2c1.
What is the InChIKey of 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZGTPQMBRTVSLSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-7-9-22-16(10-13)20-12-15(18(22)24)17(23)21-8-5-6-14(21)11-19(2,3)4/h7,9-10,12,14H,5-6,8,11H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97007915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).