4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine

C14H11FN4O — CID 141278993

IUPAC4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Oc3ccc(F)cc3)ncn2)cn1
InChIInChI=1S/C14H11FN4O/c1-19-8-10(7-18-19)13-6-14(17-9-16-13)20-12-4-2-11(15)3-5-12/h2-9H,1H3
InChIKeyLPZJRPJJCHCWGU-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.81
Rot. Bonds3

About 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine

4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 141278993) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID141278993
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Oc3ccc(F)cc3)ncn2)cn1
InChIInChI=1S/C14H11FN4O/c1-19-8-10(7-18-19)13-6-14(17-9-16-13)20-12-4-2-11(15)3-5-12/h2-9H,1H3
InChIKeyLPZJRPJJCHCWGU-UHFFFAOYSA-N
XLogP2.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 141278993) is 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cc(Oc3ccc(F)cc3)ncn2)cn1.
What is the InChIKey of 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is LPZJRPJJCHCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-19-8-10(7-18-19)13-6-14(17-9-16-13)20-12-4-2-11(15)3-5-12/h2-9H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 270.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 141278993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).