3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione

C6H7FN2O2 — CID 88845333

IUPAC3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(F)c(=O)c1C
InChIInChI=1S/C6H7FN2O2/c1-3-4(2)8-6(11)9(7)5(3)10/h1-2H3,(H,8,11)
InChIKeyLARGGPVDPXZFMI-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.11
Rot. Bonds

About 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione

3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 88845333) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID88845333
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(F)c(=O)c1C
InChIInChI=1S/C6H7FN2O2/c1-3-4(2)8-6(11)9(7)5(3)10/h1-2H3,(H,8,11)
InChIKeyLARGGPVDPXZFMI-UHFFFAOYSA-N
XLogP-0.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione (CID 88845333) is 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(F)c(=O)c1C.
What is the InChIKey of 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is LARGGPVDPXZFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-3-4(2)8-6(11)9(7)5(3)10/h1-2H3,(H,8,11).
What are the key properties of 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione?
3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 158.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 88845333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).