4-(3-fluorophenyl)-6-methylpyrimidine

C11H9FN2 — CID 13072816

IUPAC4-(3-fluorophenyl)-6-methylpyrimidine
SMILESCc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H9FN2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9/h2-7H,1H3
InChIKeyHOOPDFSDQXGECP-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.59
Rot. Bonds1

About 4-(3-fluorophenyl)-6-methylpyrimidine

4-(3-fluorophenyl)-6-methylpyrimidine (PubChem CID 13072816) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-methylpyrimidine
PubChem CID13072816
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC Name4-(3-fluorophenyl)-6-methylpyrimidine
SMILESCc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H9FN2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9/h2-7H,1H3
InChIKeyHOOPDFSDQXGECP-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-methylpyrimidine?
The IUPAC name of 4-(3-fluorophenyl)-6-methylpyrimidine (CID 13072816) is 4-(3-fluorophenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-methylpyrimidine?
The canonical SMILES for 4-(3-fluorophenyl)-6-methylpyrimidine is Cc1cc(-c2cccc(F)c2)ncn1.
What is the InChIKey of 4-(3-fluorophenyl)-6-methylpyrimidine?
The InChIKey is HOOPDFSDQXGECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c1-8-5-11(14-7-13-8)9-3-2-4-10(12)6-9/h2-7H,1H3.
What are the key properties of 4-(3-fluorophenyl)-6-methylpyrimidine?
4-(3-fluorophenyl)-6-methylpyrimidine 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 4-(3-fluorophenyl)-6-methylpyrimidine is sourced from PubChem (CID 13072816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).