(2,4-dioxo-1H-pyrimidin-5-yl)urea

C5H6N4O3 — CID 45064263

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESNC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O3/c6-4(11)8-2-1-7-5(12)9-3(2)10/h1H,(H3,6,8,11)(H2,7,9,10,12)
InChIKeyKAIIXTWPKIYNMF-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.45
Rot. Bonds1

About (2,4-dioxo-1H-pyrimidin-5-yl)urea

(2,4-dioxo-1H-pyrimidin-5-yl)urea (PubChem CID 45064263) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl)urea
PubChem CID45064263
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESNC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O3/c6-4(11)8-2-1-7-5(12)9-3(2)10/h1H,(H3,6,8,11)(H2,7,9,10,12)
InChIKeyKAIIXTWPKIYNMF-UHFFFAOYSA-N
XLogP-1.45
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)urea (CID 45064263) is (2,4-dioxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl)urea is NC(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl)urea?
The InChIKey is KAIIXTWPKIYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-4(11)8-2-1-7-5(12)9-3(2)10/h1H,(H3,6,8,11)(H2,7,9,10,12).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl)urea?
(2,4-dioxo-1H-pyrimidin-5-yl)urea has a molecular weight of 170.13 g/mol, XLogP of -1.45, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 45064263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).