[(6-methoxy-1-methylindol-5-yl)amino]urea

C11H14N4O2 — CID 131842642

IUPAC[(6-methoxy-1-methylindol-5-yl)amino]urea
SMILESCOc1cc2c(ccn2C)cc1NNC(N)=O
InChIInChI=1S/C11H14N4O2/c1-15-4-3-7-5-8(13-14-11(12)16)10(17-2)6-9(7)15/h3-6,13H,1-2H3,(H3,12,14,16)
InChIKeyHKMCBMAZJUWFQU-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.18
Rot. Bonds3

About [(6-methoxy-1-methylindol-5-yl)amino]urea

[(6-methoxy-1-methylindol-5-yl)amino]urea (PubChem CID 131842642) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [(6-methoxy-1-methylindol-5-yl)amino]urea.

Molecular Properties

Compound Name[(6-methoxy-1-methylindol-5-yl)amino]urea
PubChem CID131842642
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[(6-methoxy-1-methylindol-5-yl)amino]urea
SMILESCOc1cc2c(ccn2C)cc1NNC(N)=O
InChIInChI=1S/C11H14N4O2/c1-15-4-3-7-5-8(13-14-11(12)16)10(17-2)6-9(7)15/h3-6,13H,1-2H3,(H3,12,14,16)
InChIKeyHKMCBMAZJUWFQU-UHFFFAOYSA-N
XLogP1.18
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-(5-methoxy-1-methylindol-6-yl)butanoic acid
CID 117410418
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
CID 96609929
1-methylindole-6-carboxamide
CID 22245947
methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
CID 117312084
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
CID 117401757
methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate
CID 75607601
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
CID 67563454
1-methylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 68813268
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
4-methoxy-3-(1-methylindol-5-yl)benzoic acid
CID 82039901

Frequently Asked Questions

What is the IUPAC name of [(6-methoxy-1-methylindol-5-yl)amino]urea?
The IUPAC name of [(6-methoxy-1-methylindol-5-yl)amino]urea (CID 131842642) is [(6-methoxy-1-methylindol-5-yl)amino]urea.
What is the SMILES notation for [(6-methoxy-1-methylindol-5-yl)amino]urea?
The canonical SMILES for [(6-methoxy-1-methylindol-5-yl)amino]urea is COc1cc2c(ccn2C)cc1NNC(N)=O.
What is the InChIKey of [(6-methoxy-1-methylindol-5-yl)amino]urea?
The InChIKey is HKMCBMAZJUWFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-4-3-7-5-8(13-14-11(12)16)10(17-2)6-9(7)15/h3-6,13H,1-2H3,(H3,12,14,16).
What are the key properties of [(6-methoxy-1-methylindol-5-yl)amino]urea?
[(6-methoxy-1-methylindol-5-yl)amino]urea has a molecular weight of 234.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methoxy-1-methylindol-5-yl)amino]urea is sourced from PubChem (CID 131842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).