5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine

C8H7FN2 — CID 166976487

IUPAC5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine
SMILESC=C=Cc1ncnc(C)c1F
InChIInChI=1S/C8H7FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h4-5H,1H2,2H3
InChIKeyAWCGBHFSCPAXFC-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.72
Rot. Bonds1

About 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine

5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine (PubChem CID 166976487) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine
PubChem CID166976487
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine
SMILESC=C=Cc1ncnc(C)c1F
InChIInChI=1S/C8H7FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h4-5H,1H2,2H3
InChIKeyAWCGBHFSCPAXFC-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine 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 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine?
The IUPAC name of 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine (CID 166976487) is 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine is C=C=Cc1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine?
The InChIKey is AWCGBHFSCPAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h4-5H,1H2,2H3.
What are the key properties of 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine?
5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine has a molecular weight of 150.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine is sourced from PubChem (CID 166976487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).