(2,4-dioxopyrimidin-1-yl)urea

C5H6N4O3 — CID 57015062

IUPAC(2,4-dioxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O3/c6-4(11)8-9-2-1-3(10)7-5(9)12/h1-2H,(H3,6,8,11)(H,7,10,12)
InChIKeyFJCNNRMWIZPNTL-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.84
Rot. Bonds1

About (2,4-dioxopyrimidin-1-yl)urea

(2,4-dioxopyrimidin-1-yl)urea (PubChem CID 57015062) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl)urea.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl)urea
PubChem CID57015062
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name(2,4-dioxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O3/c6-4(11)8-9-2-1-3(10)7-5(9)12/h1-2H,(H3,6,8,11)(H,7,10,12)
InChIKeyFJCNNRMWIZPNTL-UHFFFAOYSA-N
XLogP-1.84
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl)urea?
The IUPAC name of (2,4-dioxopyrimidin-1-yl)urea (CID 57015062) is (2,4-dioxopyrimidin-1-yl)urea.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl)urea?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl)urea is NC(=O)Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl)urea?
The InChIKey is FJCNNRMWIZPNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-4(11)8-9-2-1-3(10)7-5(9)12/h1-2H,(H3,6,8,11)(H,7,10,12).
What are the key properties of (2,4-dioxopyrimidin-1-yl)urea?
(2,4-dioxopyrimidin-1-yl)urea has a molecular weight of 170.13 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl)urea is sourced from PubChem (CID 57015062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).