2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 60510332

IUPAC2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCO)C3CC3)nc12
InChIInChI=1S/C15H19N3O2/c1-11-3-2-6-18-14(20)9-12(16-15(11)18)10-17(7-8-19)13-4-5-13/h2-3,6,9,13,19H,4-5,7-8,10H2,1H3
InChIKeyWTXDSPBIJRBTDI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds5

About 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 60510332) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID60510332
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCO)C3CC3)nc12
InChIInChI=1S/C15H19N3O2/c1-11-3-2-6-18-14(20)9-12(16-15(11)18)10-17(7-8-19)13-4-5-13/h2-3,6,9,13,19H,4-5,7-8,10H2,1H3
InChIKeyWTXDSPBIJRBTDI-UHFFFAOYSA-N
XLogP0.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119933028
2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 47056018
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62015199
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 110881785
2-[cyclohexyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]ethanol
CID 60694876
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 60510332) is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(CCO)C3CC3)nc12.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTXDSPBIJRBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-3-2-6-18-14(20)9-12(16-15(11)18)10-17(7-8-19)13-4-5-13/h2-3,6,9,13,19H,4-5,7-8,10H2,1H3.
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60510332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).