4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide

C11H10N4O3 — CID 158659677

IUPAC4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C11H10N4O3/c12-10(18)6-1-3-7(4-2-6)13-11-14-8(16)5-9(17)15-11/h1-5H,(H2,12,18)(H3,13,14,15,16,17)
InChIKeyICPDUGKZNOJOPZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.32
Rot. Bonds3

About 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide

4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide (PubChem CID 158659677) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
PubChem CID158659677
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C11H10N4O3/c12-10(18)6-1-3-7(4-2-6)13-11-14-8(16)5-9(17)15-11/h1-5H,(H2,12,18)(H3,13,14,15,16,17)
InChIKeyICPDUGKZNOJOPZ-UHFFFAOYSA-N
XLogP0.32
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
CID 146541140
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide
CID 139976389
2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976467
2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976142
4-hydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)anilino]-1H-pyrimidin-6-one
CID 139976279
3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 139976080
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
propyl 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]benzoate
CID 135749149
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
propyl 4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136778726

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide (CID 158659677) is 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide?
The InChIKey is ICPDUGKZNOJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-10(18)6-1-3-7(4-2-6)13-11-14-8(16)5-9(17)15-11/h1-5H,(H2,12,18)(H3,13,14,15,16,17).
What are the key properties of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide?
4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide has a molecular weight of 246.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 158659677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).