(1-hydroxypyrimidin-2-ylidene)urea

C5H6N4O2 — CID 66709434

IUPAC(1-hydroxypyrimidin-2-ylidene)urea
SMILESNC(=O)N=c1ncccn1O
InChIInChI=1S/C5H6N4O2/c6-4(10)8-5-7-2-1-3-9(5)11/h1-3,11H,(H2,6,10)
InChIKeySFMWHAIMFLUUIE-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.90
Rot. Bonds

About (1-hydroxypyrimidin-2-ylidene)urea

(1-hydroxypyrimidin-2-ylidene)urea (PubChem CID 66709434) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (1-hydroxypyrimidin-2-ylidene)urea.

Molecular Properties

Compound Name(1-hydroxypyrimidin-2-ylidene)urea
PubChem CID66709434
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name(1-hydroxypyrimidin-2-ylidene)urea
SMILESNC(=O)N=c1ncccn1O
InChIInChI=1S/C5H6N4O2/c6-4(10)8-5-7-2-1-3-9(5)11/h1-3,11H,(H2,6,10)
InChIKeySFMWHAIMFLUUIE-UHFFFAOYSA-N
XLogP-0.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxypyrimidin-2-ylidene)urea?
The IUPAC name of (1-hydroxypyrimidin-2-ylidene)urea (CID 66709434) is (1-hydroxypyrimidin-2-ylidene)urea.
What is the SMILES notation for (1-hydroxypyrimidin-2-ylidene)urea?
The canonical SMILES for (1-hydroxypyrimidin-2-ylidene)urea is NC(=O)N=c1ncccn1O.
What is the InChIKey of (1-hydroxypyrimidin-2-ylidene)urea?
The InChIKey is SFMWHAIMFLUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-4(10)8-5-7-2-1-3-9(5)11/h1-3,11H,(H2,6,10).
What are the key properties of (1-hydroxypyrimidin-2-ylidene)urea?
(1-hydroxypyrimidin-2-ylidene)urea has a molecular weight of 154.13 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxypyrimidin-2-ylidene)urea is sourced from PubChem (CID 66709434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).