5-fluoro-6-phenylpyrimidine-4-carboxamide

C11H8FN3O — CID 90954471

IUPAC5-fluoro-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc(-c2ccccc2)c1F
InChIInChI=1S/C11H8FN3O/c12-8-9(7-4-2-1-3-5-7)14-6-15-10(8)11(13)16/h1-6H,(H2,13,16)
InChIKeyONTSJQRMNNPVIV-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.38
Rot. Bonds2

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

5-fluoro-6-phenylpyrimidine-4-carboxamide (PubChem CID 90954471) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-fluoro-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-phenylpyrimidine-4-carboxamide
PubChem CID90954471
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name5-fluoro-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc(-c2ccccc2)c1F
InChIInChI=1S/C11H8FN3O/c12-8-9(7-4-2-1-3-5-7)14-6-15-10(8)11(13)16/h1-6H,(H2,13,16)
InChIKeyONTSJQRMNNPVIV-UHFFFAOYSA-N
XLogP1.38
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-6-phenylpyrimidine-4-carboxamide (CID 90954471) is 5-fluoro-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-6-phenylpyrimidine-4-carboxamide is NC(=O)c1ncnc(-c2ccccc2)c1F.
What is the InChIKey of 5-fluoro-6-phenylpyrimidine-4-carboxamide?
The InChIKey is ONTSJQRMNNPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-8-9(7-4-2-1-3-5-7)14-6-15-10(8)11(13)16/h1-6H,(H2,13,16).
What are the key properties of 5-fluoro-6-phenylpyrimidine-4-carboxamide?
5-fluoro-6-phenylpyrimidine-4-carboxamide has a molecular weight of 217.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 90954471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).