[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea

C8H13N5O2 — CID 170581155

IUPAC[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea
SMILESNC(=O)NC1=CNC(N2CC(O)C2)N=C1
InChIInChI=1S/C8H13N5O2/c9-7(15)12-5-1-10-8(11-2-5)13-3-6(14)4-13/h1-2,6,8,10,14H,3-4H2,(H3,9,12,15)
InChIKeyMUUJKPOTXUASMG-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.87
Rot. Bonds2

About [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea

[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea (PubChem CID 170581155) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea.

Molecular Properties

Compound Name[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea
PubChem CID170581155
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea
SMILESNC(=O)NC1=CNC(N2CC(O)C2)N=C1
InChIInChI=1S/C8H13N5O2/c9-7(15)12-5-1-10-8(11-2-5)13-3-6(14)4-13/h1-2,6,8,10,14H,3-4H2,(H3,9,12,15)
InChIKeyMUUJKPOTXUASMG-UHFFFAOYSA-N
XLogP-1.87
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
CID 142719201

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea?
The IUPAC name of [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea (CID 170581155) is [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea.
What is the SMILES notation for [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea?
The canonical SMILES for [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea is NC(=O)NC1=CNC(N2CC(O)C2)N=C1.
What is the InChIKey of [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea?
The InChIKey is MUUJKPOTXUASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-7(15)12-5-1-10-8(11-2-5)13-3-6(14)4-13/h1-2,6,8,10,14H,3-4H2,(H3,9,12,15).
What are the key properties of [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea?
[2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea has a molecular weight of 211.22 g/mol, XLogP of -1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyazetidin-1-yl)-1,2-dihydropyrimidin-5-yl]urea is sourced from PubChem (CID 170581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).