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

C15H20N4O — CID 103577216

IUPAC2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CC(C)C(N)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-10-3-4-14-17-12(5-15(20)19(14)6-10)8-18-7-11(2)13(16)9-18/h3-6,11,13H,7-9,16H2,1-2H3
InChIKeyCTCSKKDRHHIGCC-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.78
Rot. Bonds2

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

2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 103577216) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID103577216
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CC(C)C(N)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-10-3-4-14-17-12(5-15(20)19(14)6-10)8-18-7-11(2)13(16)9-18/h3-6,11,13H,7-9,16H2,1-2H3
InChIKeyCTCSKKDRHHIGCC-UHFFFAOYSA-N
XLogP0.78
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 48633888
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-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
7-bromo-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114681402
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119927110
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 103577216) is 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CC(C)C(N)C3)cc(=O)n2c1.
What is the InChIKey of 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CTCSKKDRHHIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-3-4-14-17-12(5-15(20)19(14)6-10)8-18-7-11(2)13(16)9-18/h3-6,11,13H,7-9,16H2,1-2H3.
What are the key properties of 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103577216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).