2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C15H21N3O2 — CID 115666446

IUPAC2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CCCO)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C15H21N3O2/c1-3-17(6-4-8-19)11-13-10-15(20)18-7-5-12(2)9-14(18)16-13/h5,7,9-10,19H,3-4,6,8,11H2,1-2H3
InChIKeyKPYJHVUELYCCCK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds6

About 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115666446) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115666446
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CCCO)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C15H21N3O2/c1-3-17(6-4-8-19)11-13-10-15(20)18-7-5-12(2)9-14(18)16-13/h5,7,9-10,19H,3-4,6,8,11H2,1-2H3
InChIKeyKPYJHVUELYCCCK-UHFFFAOYSA-N
XLogP1.21
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
CID 60660188
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91834628
2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787975
8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63643365
2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 56812870
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]butanoic acid
CID 66137360
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 115666446) is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is CCN(CCCO)Cc1cc(=O)n2ccc(C)cc2n1.
What is the InChIKey of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KPYJHVUELYCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17(6-4-8-19)11-13-10-15(20)18-7-5-12(2)9-14(18)16-13/h5,7,9-10,19H,3-4,6,8,11H2,1-2H3.
What are the key properties of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115666446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).