2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H20N4O — CID 62063779

IUPAC2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(CN)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-11-2-3-14-17-13(6-15(20)19(14)8-11)10-18-5-4-12(7-16)9-18/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3
InChIKeyNTKMDSRRRFIMFW-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.78
Rot. Bonds3

About 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 62063779) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID62063779
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(CN)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-11-2-3-14-17-13(6-15(20)19(14)8-11)10-18-5-4-12(7-16)9-18/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3
InChIKeyNTKMDSRRRFIMFW-UHFFFAOYSA-N
XLogP0.78
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
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
CID 119923564
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 103577216
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119927110
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114681402
7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 48633888
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 62063779) is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC(CN)C3)cc(=O)n2c1.
What is the InChIKey of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NTKMDSRRRFIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-2-3-14-17-13(6-15(20)19(14)8-11)10-18-5-4-12(7-16)9-18/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3.
What are the key properties of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62063779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).