5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide

C17H12FN3O2 — CID 71285459

IUPAC5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)ncc1Oc1ccccc1F
InChIInChI=1S/C17H12FN3O2/c18-12-8-4-5-9-13(12)23-14-10-20-17(21-15(14)16(19)22)11-6-2-1-3-7-11/h1-10H,(H2,19,22)
InChIKeyNMMPUZDOPOSJIU-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.17
Rot. Bonds4

About 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide

5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide (PubChem CID 71285459) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide
PubChem CID71285459
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)ncc1Oc1ccccc1F
InChIInChI=1S/C17H12FN3O2/c18-12-8-4-5-9-13(12)23-14-10-20-17(21-15(14)16(19)22)11-6-2-1-3-7-11/h1-10H,(H2,19,22)
InChIKeyNMMPUZDOPOSJIU-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 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide (CID 71285459) is 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide is NC(=O)c1nc(-c2ccccc2)ncc1Oc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is NMMPUZDOPOSJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-12-8-4-5-9-13(12)23-14-10-20-17(21-15(14)16(19)22)11-6-2-1-3-7-11/h1-10H,(H2,19,22).
What are the key properties of 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide?
5-(2-fluorophenoxy)-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 5-(2-fluorophenoxy)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 71285459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).