6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide

C17H12FN3O2 — CID 71285460

IUPAC6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)nc(F)c1Oc1ccccc1
InChIInChI=1S/C17H12FN3O2/c18-15-14(23-12-9-5-2-6-10-12)13(16(19)22)20-17(21-15)11-7-3-1-4-8-11/h1-10H,(H2,19,22)
InChIKeyBYBNQSZIWSRHIT-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.17
Rot. Bonds4

About 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide

6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide (PubChem CID 71285460) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide
PubChem CID71285460
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)nc(F)c1Oc1ccccc1
InChIInChI=1S/C17H12FN3O2/c18-15-14(23-12-9-5-2-6-10-12)13(16(19)22)20-17(21-15)11-7-3-1-4-8-11/h1-10H,(H2,19,22)
InChIKeyBYBNQSZIWSRHIT-UHFFFAOYSA-N
XLogP3.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide (CID 71285460) is 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide is NC(=O)c1nc(-c2ccccc2)nc(F)c1Oc1ccccc1.
What is the InChIKey of 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide?
The InChIKey is BYBNQSZIWSRHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-15-14(23-12-9-5-2-6-10-12)13(16(19)22)20-17(21-15)11-7-3-1-4-8-11/h1-10H,(H2,19,22).
What are the key properties of 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide?
6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 71285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).