2-(4-fluorophenyl)-5-propylpyrimidine

C13H13FN2 — CID 775651

IUPAC2-(4-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C13H13FN2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h4-9H,2-3H2,1H3
InChIKeyCTXAFVNTZWVKNC-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-fluorophenyl)-5-propylpyrimidine

2-(4-fluorophenyl)-5-propylpyrimidine (PubChem CID 775651) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-propylpyrimidine
PubChem CID775651
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-(4-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C13H13FN2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h4-9H,2-3H2,1H3
InChIKeyCTXAFVNTZWVKNC-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-propylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-propylpyrimidine (CID 775651) is 2-(4-fluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-propylpyrimidine is CCCc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-propylpyrimidine?
The InChIKey is CTXAFVNTZWVKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h4-9H,2-3H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-propylpyrimidine?
2-(4-fluorophenyl)-5-propylpyrimidine has a molecular weight of 216.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 775651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).