(6-oxo-1H-pyrimidin-2-yl)urea

C5H6N4O2 — CID 22227528

IUPAC(6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h1-2H,(H4,6,7,8,9,10,11)
InChIKeyXUMIQAOMRDRPMD-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.74
Rot. Bonds1

About (6-oxo-1H-pyrimidin-2-yl)urea

(6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 22227528) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID22227528
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name(6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h1-2H,(H4,6,7,8,9,10,11)
InChIKeyXUMIQAOMRDRPMD-UHFFFAOYSA-N
XLogP-0.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of (6-oxo-1H-pyrimidin-2-yl)urea (CID 22227528) is (6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (6-oxo-1H-pyrimidin-2-yl)urea is NC(=O)Nc1nccc(=O)[nH]1.
What is the InChIKey of (6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is XUMIQAOMRDRPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h1-2H,(H4,6,7,8,9,10,11).
What are the key properties of (6-oxo-1H-pyrimidin-2-yl)urea?
(6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 154.13 g/mol, XLogP of -0.74, 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)urea is sourced from PubChem (CID 22227528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).