4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine

C18H14FN5O2 — CID 155813141

IUPAC4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccco3)nc(OCCn3cncn3)n2)cc1
InChIInChI=1S/C18H14FN5O2/c19-14-5-3-13(4-6-14)15-10-16(17-2-1-8-25-17)23-18(22-15)26-9-7-24-12-20-11-21-24/h1-6,8,10-12H,7,9H2
InChIKeyLFZQPYCLQILRCD-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.21
Rot. Bonds6

About 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine

4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine (PubChem CID 155813141) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine
PubChem CID155813141
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccco3)nc(OCCn3cncn3)n2)cc1
InChIInChI=1S/C18H14FN5O2/c19-14-5-3-13(4-6-14)15-10-16(17-2-1-8-25-17)23-18(22-15)26-9-7-24-12-20-11-21-24/h1-6,8,10-12H,7,9H2
InChIKeyLFZQPYCLQILRCD-UHFFFAOYSA-N
XLogP3.21
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine (CID 155813141) is 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine is Fc1ccc(-c2cc(-c3ccco3)nc(OCCn3cncn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine?
The InChIKey is LFZQPYCLQILRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-14-5-3-13(4-6-14)15-10-16(17-2-1-8-25-17)23-18(22-15)26-9-7-24-12-20-11-21-24/h1-6,8,10-12H,7,9H2.
What are the key properties of 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine?
4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine has a molecular weight of 351.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(furan-2-yl)-2-[2-(1,2,4-triazol-1-yl)ethoxy]pyrimidine is sourced from PubChem (CID 155813141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).