1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride

C10H15ClN4O — CID 3052078

IUPAC1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
SMILESCc1cccc(C)c1NC(=O)N=C(N)N.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-6-4-3-5-7(2)8(6)13-10(15)14-9(11)12;/h3-5H,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyUTKMXOZLDDVODD-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.53
Rot. Bonds1

About 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride

1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride (PubChem CID 3052078) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
PubChem CID3052078
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
SMILESCc1cccc(C)c1NC(=O)N=C(N)N.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-6-4-3-5-7(2)8(6)13-10(15)14-9(11)12;/h3-5H,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyUTKMXOZLDDVODD-UHFFFAOYSA-N
XLogP1.53
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
CID 3050627
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea
CID 54427891
1-(2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
CID 3043990
1-[amino(diethylamino)methylidene]-3-(2-bromo-6-methylphenyl)urea
CID 54554086
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea;hydrochloride
CID 3050632
1-(diaminomethylidene)-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 22769635
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide
CID 174333804
1-[amino(piperidin-1-yl)methylidene]-3-(2-bromo-6-methylphenyl)urea
CID 54132765
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea
CID 3050633
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride (CID 3052078) is 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride is Cc1cccc(C)c1NC(=O)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride?
The InChIKey is UTKMXOZLDDVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.ClH/c1-6-4-3-5-7(2)8(6)13-10(15)14-9(11)12;/h3-5H,1-2H3,(H5,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride?
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride is sourced from PubChem (CID 3052078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).