2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C15H21ClN4O — CID 119927110

IUPAC2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2nc(CN3CCCC3CN)cc(=O)n2c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11-4-5-14-17-12(7-15(20)19(14)9-11)10-18-6-2-3-13(18)8-16;/h4-5,7,9,13H,2-3,6,8,10,16H2,1H3;1H
InChIKeyCZQZITYWZCFVAB-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.35
Rot. Bonds3

About 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119927110) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119927110
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2nc(CN3CCCC3CN)cc(=O)n2c1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11-4-5-14-17-12(7-15(20)19(14)9-11)10-18-6-2-3-13(18)8-16;/h4-5,7,9,13H,2-3,6,8,10,16H2,1H3;1H
InChIKeyCZQZITYWZCFVAB-UHFFFAOYSA-N
XLogP1.35
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119915940
7-methyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95354290
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 47057204
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
7-methyl-2-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17421351
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311630
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 103577216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119927110) is 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1ccc2nc(CN3CCCC3CN)cc(=O)n2c1.Cl.
What is the InChIKey of 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is CZQZITYWZCFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-11-4-5-14-17-12(7-15(20)19(14)9-11)10-18-6-2-3-13(18)8-16;/h4-5,7,9,13H,2-3,6,8,10,16H2,1H3;1H.
What are the key properties of 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119927110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).