phenyl-(4-pyrimidin-2-yloxyphenyl)methanone

C17H12N2O2 — CID 2539963

IUPACphenyl-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C17H12N2O2/c20-16(13-5-2-1-3-6-13)14-7-9-15(10-8-14)21-17-18-11-4-12-19-17/h1-12H
InChIKeyMKDGNQFCBMUFAU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.50
Rot. Bonds4

About phenyl-(4-pyrimidin-2-yloxyphenyl)methanone

phenyl-(4-pyrimidin-2-yloxyphenyl)methanone (PubChem CID 2539963) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is phenyl-(4-pyrimidin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyrimidin-2-yloxyphenyl)methanone
PubChem CID2539963
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Namephenyl-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C17H12N2O2/c20-16(13-5-2-1-3-6-13)14-7-9-15(10-8-14)21-17-18-11-4-12-19-17/h1-12H
InChIKeyMKDGNQFCBMUFAU-UHFFFAOYSA-N
XLogP3.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrimidin-2-yloxyphenyl)methanone?
The IUPAC name of phenyl-(4-pyrimidin-2-yloxyphenyl)methanone (CID 2539963) is phenyl-(4-pyrimidin-2-yloxyphenyl)methanone.
What is the SMILES notation for phenyl-(4-pyrimidin-2-yloxyphenyl)methanone?
The canonical SMILES for phenyl-(4-pyrimidin-2-yloxyphenyl)methanone is O=C(c1ccccc1)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of phenyl-(4-pyrimidin-2-yloxyphenyl)methanone?
The InChIKey is MKDGNQFCBMUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16(13-5-2-1-3-6-13)14-7-9-15(10-8-14)21-17-18-11-4-12-19-17/h1-12H.
What are the key properties of phenyl-(4-pyrimidin-2-yloxyphenyl)methanone?
phenyl-(4-pyrimidin-2-yloxyphenyl)methanone has a molecular weight of 276.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrimidin-2-yloxyphenyl)methanone is sourced from PubChem (CID 2539963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).