(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone

C12H9FN2O2 — CID 102949933

IUPAC(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-6-10(14-7-15-11)12(16)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyNLRTWIQJBJAQLJ-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.86
Rot. Bonds3

About (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone

(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102949933) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102949933
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H9FN2O2/c1-17-11-6-10(14-7-15-11)12(16)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyNLRTWIQJBJAQLJ-UHFFFAOYSA-N
XLogP1.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone (CID 102949933) is (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)c2ccc(F)cc2)ncn1.
What is the InChIKey of (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is NLRTWIQJBJAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-11-6-10(14-7-15-11)12(16)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone?
(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 232.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102949933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).