5,6-dichloro-3-pentan-2-ylpyrimidin-4-one

C9H12Cl2N2O — CID 107885728

IUPAC5,6-dichloro-3-pentan-2-ylpyrimidin-4-one
SMILESCCCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-6(2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3
InChIKeyUDEIQJRAOVIIKK-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.91
Rot. Bonds3

About 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one

5,6-dichloro-3-pentan-2-ylpyrimidin-4-one (PubChem CID 107885728) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-pentan-2-ylpyrimidin-4-one
PubChem CID107885728
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name5,6-dichloro-3-pentan-2-ylpyrimidin-4-one
SMILESCCCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-6(2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3
InChIKeyUDEIQJRAOVIIKK-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-5-methyl-3-propan-2-ylpyrimidin-4-one
CID 91452877
5-Chloro-3-propan-2-ylpyrimidin-4-one
CID 172299455
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
5-Bromo-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885730
6-Chloro-5-iodo-3-pentan-2-ylpyrimidin-4-one
CID 107885732
5,6-Dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913295
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
3-Butan-2-yl-6-chloropyrimidin-4-one
CID 114582204
6-Chloro-3-pentan-3-ylpyrimidin-4-one
CID 114582411

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one (CID 107885728) is 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one is CCCC(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one?
The InChIKey is UDEIQJRAOVIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-3-4-6(2)13-5-12-8(11)7(10)9(13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one?
5,6-dichloro-3-pentan-2-ylpyrimidin-4-one has a molecular weight of 235.11 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-pentan-2-ylpyrimidin-4-one is sourced from PubChem (CID 107885728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).