6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione

C7H7ClF2N2O2 — CID 171716702

IUPAC6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Cl)c(C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-11-4(8)3(5(9)10)6(13)12(2)7(11)14/h5H,1-2H3
InChIKeyJKRGSDDRNMVORR-UHFFFAOYSA-N
MW224.59 g/mol
LogP0.68
Rot. Bonds1

About 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione

6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 171716702) has the molecular formula C7H7ClF2N2O2 and a molecular weight of 224.59 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID171716702
Molecular FormulaC7H7ClF2N2O2
Molecular Weight224.59 g/mol
Exact Mass224.02
IUPAC Name6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Cl)c(C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-11-4(8)3(5(9)10)6(13)12(2)7(11)14/h5H,1-2H3
InChIKeyJKRGSDDRNMVORR-UHFFFAOYSA-N
XLogP0.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.59
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-Dimethyl-5-trifluoromethyluracil
CID 11333246
6-Fluoro-1,3,5-trimethylpyrimidine-2,4(1H,3H)-dione
CID 22832100
6-Amino-1,3-dimethyl-5-trifluoromethyluracil
CID 57693260
6-Fluoro-1,3-dimethyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13240934
6-chloro-3-(2,2-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 104369869
6-chloro-5-methyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione
CID 104370030
6-chloro-5-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 104371064
6-chloro-5-methyl-3-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
CID 104372463
6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
CID 106291662
6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 121208389
6-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 121208390
6-Chloro-3-(2,2-difluoropropyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 164654654

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 171716702) is 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Cl)c(C(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JKRGSDDRNMVORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2/c1-11-4(8)3(5(9)10)6(13)12(2)7(11)14/h5H,1-2H3.
What are the key properties of 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 224.59 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 171716702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).