3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H11ClN2O2 — CID 83892713

IUPAC3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11ClN2O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5H2,1H3
InChIKeyMCNORPDLNYRGTB-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.44
Rot. Bonds1

About 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83892713) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83892713
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11ClN2O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5H2,1H3
InChIKeyMCNORPDLNYRGTB-UHFFFAOYSA-N
XLogP1.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one, 3-acetyl-2-amino-6,7,8,9-tetrahydro-
CID 34851988
3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83885895
2-Chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 83885906
2-(2-Chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 83892712
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
2-Chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83898980

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83892713) is 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(=O)c1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MCNORPDLNYRGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(14)8-9(11)12-7-4-2-3-5-13(7)10(8)15/h2-5H2,1H3.
What are the key properties of 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 226.66 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83892713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).