5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one

C8H7Cl3N2O — CID 106439753

IUPAC5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl3N2O/c1-5(2-9)3-13-4-12-7(11)6(10)8(13)14/h2,4H,3H2,1H3
InChIKeyBVPFSRRTYWQDLB-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.69
Rot. Bonds2

About 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one

5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (PubChem CID 106439753) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
PubChem CID106439753
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H7Cl3N2O/c1-5(2-9)3-13-4-12-7(11)6(10)8(13)14/h2,4H,3H2,1H3
InChIKeyBVPFSRRTYWQDLB-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728
1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
CID 106440202
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (CID 106439753) is 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is CC(=CCl)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The InChIKey is BVPFSRRTYWQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O/c1-5(2-9)3-13-4-12-7(11)6(10)8(13)14/h2,4H,3H2,1H3.
What are the key properties of 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one has a molecular weight of 253.52 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 106439753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).