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

C17H12FN3O2 — CID 71285455

IUPAC2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(F)nc(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C17H12FN3O2/c18-17-20-13(11-7-3-1-4-8-11)15(14(21-17)16(19)22)23-12-9-5-2-6-10-12/h1-10H,(H2,19,22)
InChIKeySBJMARDKUPCBAT-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.17
Rot. Bonds4

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

2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide (PubChem CID 71285455) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide
PubChem CID71285455
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(F)nc(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C17H12FN3O2/c18-17-20-13(11-7-3-1-4-8-11)15(14(21-17)16(19)22)23-12-9-5-2-6-10-12/h1-10H,(H2,19,22)
InChIKeySBJMARDKUPCBAT-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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Related Compounds

2-methoxy-N-({[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino}carbonyl)benzamide
CID 1506080
2-(4-Cyanophenoxy)-6-phenylpyrimidine-4-carboxamide
CID 943866
2-Phenoxy-6-phenylpyrimidine-4-carboxamide
CID 661634
6-Morpholin-4-yl-3-(2-phenylethoxy)pyridine-2-carboxamide
CID 145975709
(S)-2-((1-amino-1-oxopropan-2-yl)amino)-6-(4-(4-fluorophenoxy)phenyl) pyrimidine-4-carboxamide
CID 71283218
2-Amino-4-phenyl-6-[2-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 69531154
Methyl 5-benzoyloxy-2-(4-fluorophenyl)-6-methoxypyrimidine-4-carboxylate
CID 71002388
2-[(1-Amino-1-oxopropan-2-yl)amino]-6-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283216
5-(2-Fluorophenoxy)-2-phenylpyrimidine-4-carboxamide
CID 71285459
6-Fluoro-5-phenoxy-2-phenylpyrimidine-4-carboxamide
CID 71285460
2-Fluoro-5-phenoxy-6-pyridin-3-ylpyrimidine-4-carboxamide
CID 71285614
5-(2-Fluorophenoxy)-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 71285617

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide (CID 71285455) is 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide is NC(=O)c1nc(F)nc(-c2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide?
The InChIKey is SBJMARDKUPCBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-17-20-13(11-7-3-1-4-8-11)15(14(21-17)16(19)22)23-12-9-5-2-6-10-12/h1-10H,(H2,19,22).
What are the key properties of 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide?
2-fluoro-5-phenoxy-6-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 2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 71285455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).