(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea

C5H8N4O2 — CID 91065745

IUPAC(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESNC(=O)NC1N=CCC(=O)N1
InChIInChI=1S/C5H8N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h2,5H,1H2,(H,8,10)(H3,6,9,11)
InChIKeyUYEPXAKKTUJSRA-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.47
Rot. Bonds1

About (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea

(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea (PubChem CID 91065745) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea
PubChem CID91065745
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESNC(=O)NC1N=CCC(=O)N1
InChIInChI=1S/C5H8N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h2,5H,1H2,(H,8,10)(H3,6,9,11)
InChIKeyUYEPXAKKTUJSRA-UHFFFAOYSA-N
XLogP-1.47
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea?
The IUPAC name of (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea (CID 91065745) is (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea is NC(=O)NC1N=CCC(=O)N1.
What is the InChIKey of (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea?
The InChIKey is UYEPXAKKTUJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-4(11)9-5-7-2-1-3(10)8-5/h2,5H,1H2,(H,8,10)(H3,6,9,11).
What are the key properties of (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea?
(6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea has a molecular weight of 156.15 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2,5-dihydro-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 91065745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).