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

C7H8F2N2O2 — CID 164674497

IUPAC5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H8F2N2O2/c1-10-3-4(5(8)9)6(12)11(2)7(10)13/h3,5H,1-2H3
InChIKeyQJGNIJBEXQNBEI-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.02
Rot. Bonds1

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

5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 164674497) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID164674497
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H8F2N2O2/c1-10-3-4(5(8)9)6(12)11(2)7(10)13/h3,5H,1-2H3
InChIKeyQJGNIJBEXQNBEI-UHFFFAOYSA-N
XLogP0.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 164674497) is 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QJGNIJBEXQNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-10-3-4(5(8)9)6(12)11(2)7(10)13/h3,5H,1-2H3.
What are the key properties of 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 190.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 164674497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).