2-phenoxy-6-phenylpyrimidine-4-carboxamide

C17H13N3O2 — CID 661634

IUPAC2-phenoxy-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c18-16(21)15-11-14(12-7-3-1-4-8-12)19-17(20-15)22-13-9-5-2-6-10-13/h1-11H,(H2,18,21)
InChIKeySWCWGGONYOBWGV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.03
Rot. Bonds4

About 2-phenoxy-6-phenylpyrimidine-4-carboxamide

2-phenoxy-6-phenylpyrimidine-4-carboxamide (PubChem CID 661634) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-phenoxy-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenoxy-6-phenylpyrimidine-4-carboxamide
PubChem CID661634
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-phenoxy-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c18-16(21)15-11-14(12-7-3-1-4-8-12)19-17(20-15)22-13-9-5-2-6-10-13/h1-11H,(H2,18,21)
InChIKeySWCWGGONYOBWGV-UHFFFAOYSA-N
XLogP3.03
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-phenoxy-6-phenylpyrimidine-4-carboxamide (CID 661634) is 2-phenoxy-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenoxy-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-phenoxy-6-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxy-6-phenylpyrimidine-4-carboxamide?
The InChIKey is SWCWGGONYOBWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-16(21)15-11-14(12-7-3-1-4-8-12)19-17(20-15)22-13-9-5-2-6-10-13/h1-11H,(H2,18,21).
What are the key properties of 2-phenoxy-6-phenylpyrimidine-4-carboxamide?
2-phenoxy-6-phenylpyrimidine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).