5-fluoro-4-(2-methylphenyl)pyrimidine

C11H9FN2 — CID 141276191

IUPAC5-fluoro-4-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1ncncc1F
InChIInChI=1S/C11H9FN2/c1-8-4-2-3-5-9(8)11-10(12)6-13-7-14-11/h2-7H,1H3
InChIKeyQSRKHTWRWCUXQM-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.59
Rot. Bonds1

About 5-fluoro-4-(2-methylphenyl)pyrimidine

5-fluoro-4-(2-methylphenyl)pyrimidine (PubChem CID 141276191) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 5-fluoro-4-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(2-methylphenyl)pyrimidine
PubChem CID141276191
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC Name5-fluoro-4-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1ncncc1F
InChIInChI=1S/C11H9FN2/c1-8-4-2-3-5-9(8)11-10(12)6-13-7-14-11/h2-7H,1H3
InChIKeyQSRKHTWRWCUXQM-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylphenyl)pyrimidine
CID 4188102
7-[2-(2-methylphenyl)-3-pyridinyl]quinazoline
CID 151094082
iridium;bis(5-methyl-4-(2-methylphenyl)-6-phenylpyrimidine)
CID 159158115
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
3-(2-fluorophenyl)-4-methylpyridine
CID 46313062
4-(2-fluorophenyl)-5-pentylpyrimidine
CID 22392430
5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole
CID 170936103
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
4-(2-fluorophenyl)-5-hexylpyrimidine
CID 22392469
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
2-methyl-4-(2-methylphenyl)pyrimidin-5-amine
CID 82374855
ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
CID 145320896

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methylphenyl)pyrimidine?
The IUPAC name of 5-fluoro-4-(2-methylphenyl)pyrimidine (CID 141276191) is 5-fluoro-4-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(2-methylphenyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-(2-methylphenyl)pyrimidine is Cc1ccccc1-c1ncncc1F.
What is the InChIKey of 5-fluoro-4-(2-methylphenyl)pyrimidine?
The InChIKey is QSRKHTWRWCUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c1-8-4-2-3-5-9(8)11-10(12)6-13-7-14-11/h2-7H,1H3.
What are the key properties of 5-fluoro-4-(2-methylphenyl)pyrimidine?
5-fluoro-4-(2-methylphenyl)pyrimidine has a molecular weight of 188.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 141276191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).