ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C13H18N2O — CID 171661033

IUPACethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.CC(C)c1ccc2nccc(=O)n2c1
InChIInChI=1S/C11H12N2O.C2H6/c1-8(2)9-3-4-10-12-6-5-11(14)13(10)7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyUCYVZGSAIXWMAL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds1

About ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 171661033) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID171661033
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.CC(C)c1ccc2nccc(=O)n2c1
InChIInChI=1S/C11H12N2O.C2H6/c1-8(2)9-3-4-10-12-6-5-11(14)13(10)7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyUCYVZGSAIXWMAL-UHFFFAOYSA-N
XLogP2.84
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
5-fluoro-2-methyl-1-[[(4R)-4-methylcyclohexa-1,5-dien-1-yl]methyl]pyrimidin-4-one
CID 145174096
7-Tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one
CID 147392831
2-(Difluoromethyl)-9-fluoro-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 154932858
8-Propan-2-yl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409490

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 171661033) is ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC.CC(C)c1ccc2nccc(=O)n2c1.
What is the InChIKey of ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UCYVZGSAIXWMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-8(2)9-3-4-10-12-6-5-11(14)13(10)7-9;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 171661033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).