6-phenoxy-2-phenylpyrimidin-4-amine

C16H13N3O — CID 115915894

IUPAC6-phenoxy-2-phenylpyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c17-14-11-15(20-13-9-5-2-6-10-13)19-16(18-14)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19)
InChIKeyQZLOEYCIYPMSCG-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.52
Rot. Bonds3

About 6-phenoxy-2-phenylpyrimidin-4-amine

6-phenoxy-2-phenylpyrimidin-4-amine (PubChem CID 115915894) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-phenoxy-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-phenoxy-2-phenylpyrimidin-4-amine
PubChem CID115915894
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-phenoxy-2-phenylpyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c17-14-11-15(20-13-9-5-2-6-10-13)19-16(18-14)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19)
InChIKeyQZLOEYCIYPMSCG-UHFFFAOYSA-N
XLogP3.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-phenoxy-2-phenylpyrimidin-4-amine (CID 115915894) is 6-phenoxy-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-phenoxy-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-phenoxy-2-phenylpyrimidin-4-amine is Nc1cc(Oc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-phenoxy-2-phenylpyrimidin-4-amine?
The InChIKey is QZLOEYCIYPMSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-14-11-15(20-13-9-5-2-6-10-13)19-16(18-14)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19).
What are the key properties of 6-phenoxy-2-phenylpyrimidin-4-amine?
6-phenoxy-2-phenylpyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).