7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one

C10H9ClN2O — CID 118544434

IUPAC7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKeyWSXKAWUSSDTREL-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.91
Rot. Bonds1

About 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one

7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 118544434) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID118544434
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKeyWSXKAWUSSDTREL-UHFFFAOYSA-N
XLogP1.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113
7-chloro-2-[1-(4-chlorophenyl)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 55989165
7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92846184
(2R)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
CID 83194830
ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 144970394
7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60512889
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
2-[(3-amino-2-methylpropyl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 66226296
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 62638702
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one (CID 118544434) is 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WSXKAWUSSDTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3.
What are the key properties of 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118544434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).