(3-amino-2,6-dimethylphenyl)urea

C9H13N3O — CID 19820899

IUPAC(3-amino-2,6-dimethylphenyl)urea
SMILESCc1ccc(N)c(C)c1NC(N)=O
InChIInChI=1S/C9H13N3O/c1-5-3-4-7(10)6(2)8(5)12-9(11)13/h3-4H,10H2,1-2H3,(H3,11,12,13)
InChIKeyQBBOIGNKDOLTIL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.38
Rot. Bonds1

About (3-amino-2,6-dimethylphenyl)urea

(3-amino-2,6-dimethylphenyl)urea (PubChem CID 19820899) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-amino-2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name(3-amino-2,6-dimethylphenyl)urea
PubChem CID19820899
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3-amino-2,6-dimethylphenyl)urea
SMILESCc1ccc(N)c(C)c1NC(N)=O
InChIInChI=1S/C9H13N3O/c1-5-3-4-7(10)6(2)8(5)12-9(11)13/h3-4H,10H2,1-2H3,(H3,11,12,13)
InChIKeyQBBOIGNKDOLTIL-UHFFFAOYSA-N
XLogP1.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
N-(3-amino-2,6-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 24694780
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-dimethylphenyl)urea?
The IUPAC name of (3-amino-2,6-dimethylphenyl)urea (CID 19820899) is (3-amino-2,6-dimethylphenyl)urea.
What is the SMILES notation for (3-amino-2,6-dimethylphenyl)urea?
The canonical SMILES for (3-amino-2,6-dimethylphenyl)urea is Cc1ccc(N)c(C)c1NC(N)=O.
What is the InChIKey of (3-amino-2,6-dimethylphenyl)urea?
The InChIKey is QBBOIGNKDOLTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5-3-4-7(10)6(2)8(5)12-9(11)13/h3-4H,10H2,1-2H3,(H3,11,12,13).
What are the key properties of (3-amino-2,6-dimethylphenyl)urea?
(3-amino-2,6-dimethylphenyl)urea has a molecular weight of 179.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-dimethylphenyl)urea is sourced from PubChem (CID 19820899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).