6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde

C8H7F3N2O — CID 62743378

IUPAC6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O/c1-5-2-6(4-14)13-7(12-5)3-8(9,10)11/h2,4H,3H2,1H3
InChIKeyLMLVJNYTVVHSDX-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.70
Rot. Bonds2

About 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde

6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde (PubChem CID 62743378) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde
PubChem CID62743378
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O/c1-5-2-6(4-14)13-7(12-5)3-8(9,10)11/h2,4H,3H2,1H3
InChIKeyLMLVJNYTVVHSDX-UHFFFAOYSA-N
XLogP1.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methylpyrimidine-4-carbaldehyde
CID 22185217
2,6-Dimethylpyrimidine-4-carbaldehyde
CID 22185220
2-Cyclopropyl-6-methylpyrimidine-4-carbaldehyde
CID 62742277
6-(Difluoromethyl)pyrimidine4-carbaldehyde
CID 138756293
6-(Difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
CID 138991399
4,6-Dimethylpyrimidine-2-carbaldehyde
CID 12219069
6-(Trifluoromethyl)pyrimidine-4-carbaldehyde
CID 55262731
1-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]ethanone
CID 57733599
6-Piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 83901823
2-Hexylsulfanyl-6-trifluoromethyl-pyrimidine-4-carbaldehyde
CID 86067340
2-Cyclopropyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 90805710
2-Methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 90880210

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde (CID 62743378) is 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde?
The InChIKey is LMLVJNYTVVHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-5-2-6(4-14)13-7(12-5)3-8(9,10)11/h2,4H,3H2,1H3.
What are the key properties of 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde?
6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde has a molecular weight of 204.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 62743378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).