1-methoxy-3-(5-methyl-3-pyridinyl)urea

C8H11N3O2 — CID 131084336

IUPAC1-methoxy-3-(5-methyl-3-pyridinyl)urea
SMILESCONC(=O)Nc1cncc(C)c1
InChIInChI=1S/C8H11N3O2/c1-6-3-7(5-9-4-6)10-8(12)11-13-2/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyBGHHYOFTYOLTFU-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.07
Rot. Bonds2

About 1-methoxy-3-(5-methyl-3-pyridinyl)urea

1-methoxy-3-(5-methyl-3-pyridinyl)urea (PubChem CID 131084336) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-methoxy-3-(5-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(5-methyl-3-pyridinyl)urea
PubChem CID131084336
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-methoxy-3-(5-methyl-3-pyridinyl)urea
SMILESCONC(=O)Nc1cncc(C)c1
InChIInChI=1S/C8H11N3O2/c1-6-3-7(5-9-4-6)10-8(12)11-13-2/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyBGHHYOFTYOLTFU-UHFFFAOYSA-N
XLogP1.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methyl-3-pyridinyl)urea?
The IUPAC name of 1-methoxy-3-(5-methyl-3-pyridinyl)urea (CID 131084336) is 1-methoxy-3-(5-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-methoxy-3-(5-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-methoxy-3-(5-methyl-3-pyridinyl)urea is CONC(=O)Nc1cncc(C)c1.
What is the InChIKey of 1-methoxy-3-(5-methyl-3-pyridinyl)urea?
The InChIKey is BGHHYOFTYOLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-3-7(5-9-4-6)10-8(12)11-13-2/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 1-methoxy-3-(5-methyl-3-pyridinyl)urea?
1-methoxy-3-(5-methyl-3-pyridinyl)urea has a molecular weight of 181.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methyl-3-pyridinyl)urea is sourced from PubChem (CID 131084336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).