4,6-difluoro-5-phenylpyrimidine

C10H6F2N2 — CID 118840417

IUPAC4,6-difluoro-5-phenylpyrimidine
SMILESFc1ncnc(F)c1-c1ccccc1
InChIInChI=1S/C10H6F2N2/c11-9-8(10(12)14-6-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQSMHANWNTLBZNX-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.42
Rot. Bonds1

About 4,6-difluoro-5-phenylpyrimidine

4,6-difluoro-5-phenylpyrimidine (PubChem CID 118840417) has the molecular formula C10H6F2N2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4,6-difluoro-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-difluoro-5-phenylpyrimidine
PubChem CID118840417
Molecular FormulaC10H6F2N2
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4,6-difluoro-5-phenylpyrimidine
SMILESFc1ncnc(F)c1-c1ccccc1
InChIInChI=1S/C10H6F2N2/c11-9-8(10(12)14-6-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQSMHANWNTLBZNX-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-5-phenylpyrimidine 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-difluoro-5-phenylpyrimidine?
The IUPAC name of 4,6-difluoro-5-phenylpyrimidine (CID 118840417) is 4,6-difluoro-5-phenylpyrimidine.
What is the SMILES notation for 4,6-difluoro-5-phenylpyrimidine?
The canonical SMILES for 4,6-difluoro-5-phenylpyrimidine is Fc1ncnc(F)c1-c1ccccc1.
What is the InChIKey of 4,6-difluoro-5-phenylpyrimidine?
The InChIKey is QSMHANWNTLBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2/c11-9-8(10(12)14-6-13-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4,6-difluoro-5-phenylpyrimidine?
4,6-difluoro-5-phenylpyrimidine has a molecular weight of 192.17 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-phenylpyrimidine is sourced from PubChem (CID 118840417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).