4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine

C12H11F3N4O2 — CID 178173710

IUPAC4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnncc2C)nc(OC)c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c1-6-4-16-17-5-7(6)9-18-10(20-2)8(12(13,14)15)11(19-9)21-3/h4-5H,1-3H3
InChIKeyDJQBUCKRCLYGCZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.28
Rot. Bonds3

About 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine

4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 178173710) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID178173710
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnncc2C)nc(OC)c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2/c1-6-4-16-17-5-7(6)9-18-10(20-2)8(12(13,14)15)11(19-9)21-3/h4-5H,1-3H3
InChIKeyDJQBUCKRCLYGCZ-UHFFFAOYSA-N
XLogP2.28
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethoxy-2-(5-methylpyridazin-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 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine (CID 178173710) is 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cnncc2C)nc(OC)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is DJQBUCKRCLYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6-4-16-17-5-7(6)9-18-10(20-2)8(12(13,14)15)11(19-9)21-3/h4-5H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine?
4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 300.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).