[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea

C10H13BrN4O — CID 135990637

IUPAC[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea
SMILESCc1ccc(Br)c(C)c1/N=C(\N)NC(N)=O
InChIInChI=1S/C10H13BrN4O/c1-5-3-4-7(11)6(2)8(5)14-9(12)15-10(13)16/h3-4H,1-2H3,(H5,12,13,14,15,16)
InChIKeyJAWRAVBUDZHYTB-UHFFFAOYSA-N
MW285.15 g/mol
LogP1.68
Rot. Bonds1

About [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea

[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea (PubChem CID 135990637) has the molecular formula C10H13BrN4O and a molecular weight of 285.15 g/mol. Its IUPAC name is [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea.

Molecular Properties

Compound Name[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea
PubChem CID135990637
Molecular FormulaC10H13BrN4O
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea
SMILESCc1ccc(Br)c(C)c1/N=C(\N)NC(N)=O
InChIInChI=1S/C10H13BrN4O/c1-5-3-4-7(11)6(2)8(5)14-9(12)15-10(13)16/h3-4H,1-2H3,(H5,12,13,14,15,16)
InChIKeyJAWRAVBUDZHYTB-UHFFFAOYSA-N
XLogP1.68
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea?
The IUPAC name of [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea (CID 135990637) is [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea.
What is the SMILES notation for [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea?
The canonical SMILES for [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea is Cc1ccc(Br)c(C)c1/N=C(\N)NC(N)=O.
What is the InChIKey of [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea?
The InChIKey is JAWRAVBUDZHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-5-3-4-7(11)6(2)8(5)14-9(12)15-10(13)16/h3-4H,1-2H3,(H5,12,13,14,15,16).
What are the key properties of [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea?
[N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea has a molecular weight of 285.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-(3-bromo-2,6-dimethylphenyl)carbamimidoyl]urea is sourced from PubChem (CID 135990637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).