[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid

C11H9N3O3 — CID 146525132

IUPAC[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2cnc(=O)[nH]c2)c1
InChIInChI=1S/C11H9N3O3/c15-10-12-5-8(6-13-10)7-2-1-3-9(4-7)14-11(16)17/h1-6,14H,(H,16,17)(H,12,13,15)
InChIKeyBWOSXZYUQGEJNW-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.53
Rot. Bonds2

About [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid

[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid (PubChem CID 146525132) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
PubChem CID146525132
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2cnc(=O)[nH]c2)c1
InChIInChI=1S/C11H9N3O3/c15-10-12-5-8(6-13-10)7-2-1-3-9(4-7)14-11(16)17/h1-6,14H,(H,16,17)(H,12,13,15)
InChIKeyBWOSXZYUQGEJNW-UHFFFAOYSA-N
XLogP1.53
TPSA95.08 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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
(3-phenylphenyl)carbamic acid
CID 611602
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 53222416
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
5-(2,3-dimethylphenyl)-1H-pyrimidin-2-one
CID 39781837
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898

Frequently Asked Questions

What is the IUPAC name of [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid?
The IUPAC name of [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid (CID 146525132) is [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid.
What is the SMILES notation for [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid?
The canonical SMILES for [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid is O=C(O)Nc1cccc(-c2cnc(=O)[nH]c2)c1.
What is the InChIKey of [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid?
The InChIKey is BWOSXZYUQGEJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-12-5-8(6-13-10)7-2-1-3-9(4-7)14-11(16)17/h1-6,14H,(H,16,17)(H,12,13,15).
What are the key properties of [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid?
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid has a molecular weight of 231.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 146525132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).