3-(2-carbamimidoylphenyl)-1,1-dimethylurea

C10H14N4O — CID 79153438

IUPAC3-(2-carbamimidoylphenyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C10H14N4O/c1-14(2)10(15)13-8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H3,11,12)(H,13,15)
InChIKeyYUAWKZSUDHUJBQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.06
Rot. Bonds2

About 3-(2-carbamimidoylphenyl)-1,1-dimethylurea

3-(2-carbamimidoylphenyl)-1,1-dimethylurea (PubChem CID 79153438) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(2-carbamimidoylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-carbamimidoylphenyl)-1,1-dimethylurea
PubChem CID79153438
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(2-carbamimidoylphenyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C10H14N4O/c1-14(2)10(15)13-8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H3,11,12)(H,13,15)
InChIKeyYUAWKZSUDHUJBQ-UHFFFAOYSA-N
XLogP1.06
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
4-(2-carbamimidoylanilino)-4-oxobutanoic acid
CID 54028141
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
2-(benzylamino)benzenecarboximidamide
CID 82253277
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
N-[5-[[5-[(2-carbamimidoylphenyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide
CID 3054317
ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
methyl 2-[(3-amino-3-iminopropanoyl)amino]benzoate
CID 99990401
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamimidoylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-carbamimidoylphenyl)-1,1-dimethylurea (CID 79153438) is 3-(2-carbamimidoylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-carbamimidoylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-carbamimidoylphenyl)-1,1-dimethylurea is [H]/N=C(\N)c1ccccc1NC(=O)N(C)C.
What is the InChIKey of 3-(2-carbamimidoylphenyl)-1,1-dimethylurea?
The InChIKey is YUAWKZSUDHUJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14(2)10(15)13-8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H3,11,12)(H,13,15).
What are the key properties of 3-(2-carbamimidoylphenyl)-1,1-dimethylurea?
3-(2-carbamimidoylphenyl)-1,1-dimethylurea has a molecular weight of 206.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamimidoylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 79153438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).