(2-oxopyrimidin-1-yl)urea

C5H6N4O2 — CID 140554504

IUPAC(2-oxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1cccnc1=O
InChIInChI=1S/C5H6N4O2/c6-4(10)8-9-3-1-2-7-5(9)11/h1-3H,(H3,6,8,10)
InChIKeyOOTIZNSTONQRMY-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.13
Rot. Bonds1

About (2-oxopyrimidin-1-yl)urea

(2-oxopyrimidin-1-yl)urea (PubChem CID 140554504) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (2-oxopyrimidin-1-yl)urea.

Molecular Properties

Compound Name(2-oxopyrimidin-1-yl)urea
PubChem CID140554504
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name(2-oxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1cccnc1=O
InChIInChI=1S/C5H6N4O2/c6-4(10)8-9-3-1-2-7-5(9)11/h1-3H,(H3,6,8,10)
InChIKeyOOTIZNSTONQRMY-UHFFFAOYSA-N
XLogP-1.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrimidin-1-yl)urea?
The IUPAC name of (2-oxopyrimidin-1-yl)urea (CID 140554504) is (2-oxopyrimidin-1-yl)urea.
What is the SMILES notation for (2-oxopyrimidin-1-yl)urea?
The canonical SMILES for (2-oxopyrimidin-1-yl)urea is NC(=O)Nn1cccnc1=O.
What is the InChIKey of (2-oxopyrimidin-1-yl)urea?
The InChIKey is OOTIZNSTONQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-4(10)8-9-3-1-2-7-5(9)11/h1-3H,(H3,6,8,10).
What are the key properties of (2-oxopyrimidin-1-yl)urea?
(2-oxopyrimidin-1-yl)urea has a molecular weight of 154.13 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrimidin-1-yl)urea is sourced from PubChem (CID 140554504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).