(6-oxo-1H-pyrimidin-2-yl)carbamic acid

C5H5N3O3 — CID 54417450

IUPAC(6-oxo-1H-pyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c9-3-1-2-6-4(7-3)8-5(10)11/h1-2H,(H,10,11)(H2,6,7,8,9)
InChIKeyVYLFIMPOSGPATL-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.14
Rot. Bonds1

About (6-oxo-1H-pyrimidin-2-yl)carbamic acid

(6-oxo-1H-pyrimidin-2-yl)carbamic acid (PubChem CID 54417450) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is (6-oxo-1H-pyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(6-oxo-1H-pyrimidin-2-yl)carbamic acid
PubChem CID54417450
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name(6-oxo-1H-pyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c9-3-1-2-6-4(7-3)8-5(10)11/h1-2H,(H,10,11)(H2,6,7,8,9)
InChIKeyVYLFIMPOSGPATL-UHFFFAOYSA-N
XLogP-0.14
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Isocytosine
CID 66950
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
4-Hydroxy-2-hydroxyaminopyrimidine
CID 581456
Methoxycarbonylaminopyrimidin-4-one
CID 101705348
(6-Oxo-1,6-dihydropyrimidin-2-yl)cyanamide
CID 12408484
Acetamide,N-(1,4-dihydro-4-oxo-pyrimidin-2-YL)-
CID 45083030
Hydroxyhydroperoxypyrimidine
CID 129678328
Bis(oxypyrimidinyl)amine
CID 129805863
(6-oxo-1H-pyrimidin-2-yl)urea;urea
CID 69443941
isocyanic acid;(6-oxo-1H-pyrimidin-2-yl)urea
CID 87278757
2-(6-oxo-1H-pyrimidin-2-yl)guanidine
CID 119082538
(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamic acid
CID 136417138

Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyrimidin-2-yl)carbamic acid?
The IUPAC name of (6-oxo-1H-pyrimidin-2-yl)carbamic acid (CID 54417450) is (6-oxo-1H-pyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (6-oxo-1H-pyrimidin-2-yl)carbamic acid?
The canonical SMILES for (6-oxo-1H-pyrimidin-2-yl)carbamic acid is O=C(O)Nc1nccc(=O)[nH]1.
What is the InChIKey of (6-oxo-1H-pyrimidin-2-yl)carbamic acid?
The InChIKey is VYLFIMPOSGPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-3-1-2-6-4(7-3)8-5(10)11/h1-2H,(H,10,11)(H2,6,7,8,9).
What are the key properties of (6-oxo-1H-pyrimidin-2-yl)carbamic acid?
(6-oxo-1H-pyrimidin-2-yl)carbamic acid has a molecular weight of 155.11 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 54417450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).