4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine

C9H7F4N5O — CID 156865184

IUPAC4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cn(C)nn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H7F4N5O/c1-18-3-4(16-17-18)7-14-6(10)5(9(11,12)13)8(15-7)19-2/h3H,1-2H3
InChIKeySWBXSVKNGKZSEE-UHFFFAOYSA-N
MW277.18 g/mol
LogP1.44
Rot. Bonds2

About 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 156865184) has the molecular formula C9H7F4N5O and a molecular weight of 277.18 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID156865184
Molecular FormulaC9H7F4N5O
Molecular Weight277.18 g/mol
Exact Mass277.06
IUPAC Name4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cn(C)nn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H7F4N5O/c1-18-3-4(16-17-18)7-14-6(10)5(9(11,12)13)8(15-7)19-2/h3H,1-2H3
InChIKeySWBXSVKNGKZSEE-UHFFFAOYSA-N
XLogP1.44
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine 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 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine (CID 156865184) is 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cn(C)nn2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is SWBXSVKNGKZSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4N5O/c1-18-3-4(16-17-18)7-14-6(10)5(9(11,12)13)8(15-7)19-2/h3H,1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 277.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-(1-methyltriazol-4-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156865184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).