4-(1,1-difluoroethyl)-6-methylpyrimidine

C7H8F2N2 — CID 121391476

IUPAC4-(1,1-difluoroethyl)-6-methylpyrimidine
SMILESCc1cc(C(C)(F)F)ncn1
InChIInChI=1S/C7H8F2N2/c1-5-3-6(7(2,8)9)11-4-10-5/h3-4H,1-2H3
InChIKeyYOGZXQFFRLNGNH-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.90
Rot. Bonds1

About 4-(1,1-difluoroethyl)-6-methylpyrimidine

4-(1,1-difluoroethyl)-6-methylpyrimidine (PubChem CID 121391476) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-6-methylpyrimidine
PubChem CID121391476
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name4-(1,1-difluoroethyl)-6-methylpyrimidine
SMILESCc1cc(C(C)(F)F)ncn1
InChIInChI=1S/C7H8F2N2/c1-5-3-6(7(2,8)9)11-4-10-5/h3-4H,1-2H3
InChIKeyYOGZXQFFRLNGNH-UHFFFAOYSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1,1-difluoroethyl)-6-methylpyrimidine 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-(1,1-difluoroethyl)-6-methylpyrimidine?
The IUPAC name of 4-(1,1-difluoroethyl)-6-methylpyrimidine (CID 121391476) is 4-(1,1-difluoroethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-6-methylpyrimidine?
The canonical SMILES for 4-(1,1-difluoroethyl)-6-methylpyrimidine is Cc1cc(C(C)(F)F)ncn1.
What is the InChIKey of 4-(1,1-difluoroethyl)-6-methylpyrimidine?
The InChIKey is YOGZXQFFRLNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-5-3-6(7(2,8)9)11-4-10-5/h3-4H,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-6-methylpyrimidine?
4-(1,1-difluoroethyl)-6-methylpyrimidine has a molecular weight of 158.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-6-methylpyrimidine is sourced from PubChem (CID 121391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).