N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

C11H9N3O3 — CID 3436100

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H9N3O3/c15-9-6-8(13-11(17)14-9)12-10(16)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
InChIKeyKBXVZOQVKDHFLW-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.32
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (PubChem CID 3436100) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
PubChem CID3436100
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H9N3O3/c15-9-6-8(13-11(17)14-9)12-10(16)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
InChIKeyKBXVZOQVKDHFLW-UHFFFAOYSA-N
XLogP0.32
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 4228393
N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
CID 3367770
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3-nitrobenzamide
CID 2148521
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide
CID 3526601
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
CID 4152349
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
CID 27102156
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
3-chloro-N-(6-oxo-1H-pyridin-2-yl)benzamide
CID 3011466
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 24699302

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (CID 3436100) is N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The InChIKey is KBXVZOQVKDHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-6-8(13-11(17)14-9)12-10(16)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide has a molecular weight of 231.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is sourced from PubChem (CID 3436100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).