8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C16H21ClN4O2 — CID 119649095

IUPAC8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cnc2cc(C)ccn2c1=O.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-5-7-20-14(8-11)18-10-13(16(20)22)15(21)19-6-3-4-12(19)9-17-2;/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3;1H
InChIKeyBVUMXVZGCAWZSO-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.25
Rot. Bonds3

About 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119649095) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119649095
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cnc2cc(C)ccn2c1=O.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-5-7-20-14(8-11)18-10-13(16(20)22)15(21)19-6-3-4-12(19)9-17-2;/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3;1H
InChIKeyBVUMXVZGCAWZSO-UHFFFAOYSA-N
XLogP1.25
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride 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
3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007915
ethyl (2R)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylate
CID 124627692
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
(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
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 119652152
(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
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648
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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119649095) is 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CNCC1CCCN1C(=O)c1cnc2cc(C)ccn2c1=O.Cl.
What is the InChIKey of 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is BVUMXVZGCAWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-11-5-7-20-14(8-11)18-10-13(16(20)22)15(21)19-6-3-4-12(19)9-17-2;/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3;1H.
What are the key properties of 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119649095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).