4-hydroxy-N-pyrimidin-5-ylbenzamide

C11H9N3O2 — CID 104862675

IUPAC4-hydroxy-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1ccc(O)cc1
InChIInChI=1S/C11H9N3O2/c15-10-3-1-8(2-4-10)11(16)14-9-5-12-7-13-6-9/h1-7,15H,(H,14,16)
InChIKeyCZMMCVAFWPTFAY-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.43
Rot. Bonds2

About 4-hydroxy-N-pyrimidin-5-ylbenzamide

4-hydroxy-N-pyrimidin-5-ylbenzamide (PubChem CID 104862675) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-hydroxy-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-pyrimidin-5-ylbenzamide
PubChem CID104862675
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-hydroxy-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1ccc(O)cc1
InChIInChI=1S/C11H9N3O2/c15-10-3-1-8(2-4-10)11(16)14-9-5-12-7-13-6-9/h1-7,15H,(H,14,16)
InChIKeyCZMMCVAFWPTFAY-UHFFFAOYSA-N
XLogP1.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrimidin-5-ylbenzamide
CID 68971843
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylbenzamide
CID 107589626
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-amino-3-pyridinyl)-4-hydroxybenzamide
CID 62900503
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 4-hydroxy-N-pyrimidin-5-ylbenzamide (CID 104862675) is 4-hydroxy-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 4-hydroxy-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 4-hydroxy-N-pyrimidin-5-ylbenzamide is O=C(Nc1cncnc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-pyrimidin-5-ylbenzamide?
The InChIKey is CZMMCVAFWPTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-10-3-1-8(2-4-10)11(16)14-9-5-12-7-13-6-9/h1-7,15H,(H,14,16).
What are the key properties of 4-hydroxy-N-pyrimidin-5-ylbenzamide?
4-hydroxy-N-pyrimidin-5-ylbenzamide has a molecular weight of 215.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 104862675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).