6-oxo-N-phenylpyrimidine-1-carboxamide

C11H9N3O2 — CID 164798852

IUPAC6-oxo-N-phenylpyrimidine-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cnccc1=O
InChIInChI=1S/C11H9N3O2/c15-10-6-7-12-8-14(10)11(16)13-9-4-2-1-3-5-9/h1-8H,(H,13,16)
InChIKeyBMOARXGBWCOTBX-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.32
Rot. Bonds1

About 6-oxo-N-phenylpyrimidine-1-carboxamide

6-oxo-N-phenylpyrimidine-1-carboxamide (PubChem CID 164798852) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-oxo-N-phenylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenylpyrimidine-1-carboxamide
PubChem CID164798852
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-oxo-N-phenylpyrimidine-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cnccc1=O
InChIInChI=1S/C11H9N3O2/c15-10-6-7-12-8-14(10)11(16)13-9-4-2-1-3-5-9/h1-8H,(H,13,16)
InChIKeyBMOARXGBWCOTBX-UHFFFAOYSA-N
XLogP1.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenylpyrimidine-1-carboxamide?
The IUPAC name of 6-oxo-N-phenylpyrimidine-1-carboxamide (CID 164798852) is 6-oxo-N-phenylpyrimidine-1-carboxamide.
What is the SMILES notation for 6-oxo-N-phenylpyrimidine-1-carboxamide?
The canonical SMILES for 6-oxo-N-phenylpyrimidine-1-carboxamide is O=C(Nc1ccccc1)n1cnccc1=O.
What is the InChIKey of 6-oxo-N-phenylpyrimidine-1-carboxamide?
The InChIKey is BMOARXGBWCOTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-10-6-7-12-8-14(10)11(16)13-9-4-2-1-3-5-9/h1-8H,(H,13,16).
What are the key properties of 6-oxo-N-phenylpyrimidine-1-carboxamide?
6-oxo-N-phenylpyrimidine-1-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenylpyrimidine-1-carboxamide is sourced from PubChem (CID 164798852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).