6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione

C6H6F2N2O2 — CID 126849411

IUPAC6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c1-2-3(4(7)8)9-6(12)10-5(2)11/h4H,1H3,(H2,9,10,11,12)
InChIKeyZNVUGSVWPMARSM-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.31
Rot. Bonds1

About 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126849411) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID126849411
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c1-2-3(4(7)8)9-6(12)10-5(2)11/h4H,1H3,(H2,9,10,11,12)
InChIKeyZNVUGSVWPMARSM-UHFFFAOYSA-N
XLogP0.31
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 126849411) is 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(C(F)F)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZNVUGSVWPMARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c1-2-3(4(7)8)9-6(12)10-5(2)11/h4H,1H3,(H2,9,10,11,12).
What are the key properties of 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 176.12 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126849411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).