3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C13H8F4N4O2 — CID 67726850

IUPAC3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3[nH]ncc3cc2F)c1=O
InChIInChI=1S/C13H8F4N4O2/c1-5-10(13(15,16)17)19-12(23)21(11(5)22)9-3-8-6(2-7(9)14)4-18-20-8/h2-4H,1H3,(H,18,20)(H,19,23)
InChIKeyQQAFNQRMBJPLBP-UHFFFAOYSA-N
MW328.23 g/mol
LogP1.87
Rot. Bonds1

About 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 67726850) has the molecular formula C13H8F4N4O2 and a molecular weight of 328.23 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID67726850
Molecular FormulaC13H8F4N4O2
Molecular Weight328.23 g/mol
Exact Mass328.06
IUPAC Name3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3[nH]ncc3cc2F)c1=O
InChIInChI=1S/C13H8F4N4O2/c1-5-10(13(15,16)17)19-12(23)21(11(5)22)9-3-8-6(2-7(9)14)4-18-20-8/h2-4H,1H3,(H,18,20)(H,19,23)
InChIKeyQQAFNQRMBJPLBP-UHFFFAOYSA-N
XLogP1.87
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-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 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 67726850) is 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is Cc1c(C(F)(F)F)[nH]c(=O)n(-c2cc3[nH]ncc3cc2F)c1=O.
What is the InChIKey of 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QQAFNQRMBJPLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4O2/c1-5-10(13(15,16)17)19-12(23)21(11(5)22)9-3-8-6(2-7(9)14)4-18-20-8/h2-4H,1H3,(H,18,20)(H,19,23).
What are the key properties of 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 328.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indazol-6-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67726850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).