4-phenoxypyrimidine-5-carboxamide

C11H9N3O2 — CID 67321266

IUPAC4-phenoxypyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1Oc1ccccc1
InChIInChI=1S/C11H9N3O2/c12-10(15)9-6-13-7-14-11(9)16-8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyPEUBSKFLGXPIRR-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.37
Rot. Bonds3

About 4-phenoxypyrimidine-5-carboxamide

4-phenoxypyrimidine-5-carboxamide (PubChem CID 67321266) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-phenoxypyrimidine-5-carboxamide
PubChem CID67321266
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-phenoxypyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1Oc1ccccc1
InChIInChI=1S/C11H9N3O2/c12-10(15)9-6-13-7-14-11(9)16-8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyPEUBSKFLGXPIRR-UHFFFAOYSA-N
XLogP1.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxypyrimidine-5-carboxamide?
The IUPAC name of 4-phenoxypyrimidine-5-carboxamide (CID 67321266) is 4-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for 4-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for 4-phenoxypyrimidine-5-carboxamide is NC(=O)c1cncnc1Oc1ccccc1.
What is the InChIKey of 4-phenoxypyrimidine-5-carboxamide?
The InChIKey is PEUBSKFLGXPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-10(15)9-6-13-7-14-11(9)16-8-4-2-1-3-5-8/h1-7H,(H2,12,15).
What are the key properties of 4-phenoxypyrimidine-5-carboxamide?
4-phenoxypyrimidine-5-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 67321266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).