4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

C9H11F3N2 — CID 66807297

IUPAC4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2/c1-5(2)7-4-6(3)13-8(14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyMHNRKINNHWGIKA-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.93
Rot. Bonds1

About 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 66807297) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID66807297
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2/c1-5(2)7-4-6(3)13-8(14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyMHNRKINNHWGIKA-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-6-propan-2-yl-2-(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-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 66807297) is 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is Cc1cc(C(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is MHNRKINNHWGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-5(2)7-4-6(3)13-8(14-7)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 204.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 66807297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).