6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde

C7H6F2N2O — CID 138991399

IUPAC6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O/c1-4-10-5(3-12)2-6(11-4)7(8)9/h2-3,7H,1H3
InChIKeyXJKZDVKMETYSMT-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.54
Rot. Bonds2

About 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde

6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde (PubChem CID 138991399) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
PubChem CID138991399
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
SMILESCc1nc(C=O)cc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O/c1-4-10-5(3-12)2-6(11-4)7(8)9/h2-3,7H,1H3
InChIKeyXJKZDVKMETYSMT-UHFFFAOYSA-N
XLogP1.54
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-2-methylpyrimidine-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
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-Methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 90880210
2,6-Bis(trifluoromethyl)pyrimidine-4-carboxamide
CID 91163579
2-Propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 91239403

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde (CID 138991399) is 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde is Cc1nc(C=O)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde?
The InChIKey is XJKZDVKMETYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c1-4-10-5(3-12)2-6(11-4)7(8)9/h2-3,7H,1H3.
What are the key properties of 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde?
6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 138991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).