3-butyl-5,6-dichloropyrimidin-4-one

C8H10Cl2N2O — CID 114583110

IUPAC3-butyl-5,6-dichloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyJAOCBNWLGUIUNW-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.35
Rot. Bonds3

About 3-butyl-5,6-dichloropyrimidin-4-one

3-butyl-5,6-dichloropyrimidin-4-one (PubChem CID 114583110) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-butyl-5,6-dichloropyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-5,6-dichloropyrimidin-4-one
PubChem CID114583110
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name3-butyl-5,6-dichloropyrimidin-4-one
SMILESCCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3
InChIKeyJAOCBNWLGUIUNW-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583013
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
5,6-Dichloro-2-ethyl-3-methylpyrimidin-4-one
CID 129126966
5,6-Dichloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036363
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
5,6-Dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6-dichloropyrimidin-4-one?
The IUPAC name of 3-butyl-5,6-dichloropyrimidin-4-one (CID 114583110) is 3-butyl-5,6-dichloropyrimidin-4-one.
What is the SMILES notation for 3-butyl-5,6-dichloropyrimidin-4-one?
The canonical SMILES for 3-butyl-5,6-dichloropyrimidin-4-one is CCCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 3-butyl-5,6-dichloropyrimidin-4-one?
The InChIKey is JAOCBNWLGUIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4H2,1H3.
What are the key properties of 3-butyl-5,6-dichloropyrimidin-4-one?
3-butyl-5,6-dichloropyrimidin-4-one has a molecular weight of 221.09 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-dichloropyrimidin-4-one is sourced from PubChem (CID 114583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).