(2,3-diaminophenyl)urea

C7H10N4O — CID 18704055

IUPAC(2,3-diaminophenyl)urea
SMILESNC(=O)Nc1cccc(N)c1N
InChIInChI=1S/C7H10N4O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,8-9H2,(H3,10,11,12)
InChIKeyARNUGAQJQDSOIZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.34
Rot. Bonds1

About (2,3-diaminophenyl)urea

(2,3-diaminophenyl)urea (PubChem CID 18704055) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is (2,3-diaminophenyl)urea.

Molecular Properties

Compound Name(2,3-diaminophenyl)urea
PubChem CID18704055
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name(2,3-diaminophenyl)urea
SMILESNC(=O)Nc1cccc(N)c1N
InChIInChI=1S/C7H10N4O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,8-9H2,(H3,10,11,12)
InChIKeyARNUGAQJQDSOIZ-UHFFFAOYSA-N
XLogP0.34
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-methylphenyl)urea
CID 16770559
naphthalen-1-ylurea;hydrochloride
CID 141142203
(2-cyanophenyl)urea
CID 13155570
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
(2-methylphenyl)urea;phosphane
CID 175888509
2-aminobenzenesulfonamide;naphthalen-1-ylurea
CID 174452527
(3-chloro-2-fluorophenyl)urea
CID 28969166
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
1-(2-aminophenyl)-3-iodourea
CID 130470631
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diaminobenzamide;hydrochloride
CID 118989521

Frequently Asked Questions

What is the IUPAC name of (2,3-diaminophenyl)urea?
The IUPAC name of (2,3-diaminophenyl)urea (CID 18704055) is (2,3-diaminophenyl)urea.
What is the SMILES notation for (2,3-diaminophenyl)urea?
The canonical SMILES for (2,3-diaminophenyl)urea is NC(=O)Nc1cccc(N)c1N.
What is the InChIKey of (2,3-diaminophenyl)urea?
The InChIKey is ARNUGAQJQDSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,8-9H2,(H3,10,11,12).
What are the key properties of (2,3-diaminophenyl)urea?
(2,3-diaminophenyl)urea has a molecular weight of 166.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diaminophenyl)urea is sourced from PubChem (CID 18704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).