1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea

C10H13ClN4O — CID 20543686

IUPAC1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
SMILES[H]/N=C(\N)N(C)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15(2)9(12)13/h3-5H,1-2H3,(H3,12,13)(H,14,16)
InChIKeyYIDGFXWCRRBBNK-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.01
Rot. Bonds1

About 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea

1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea (PubChem CID 20543686) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
PubChem CID20543686
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
SMILES[H]/N=C(\N)N(C)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15(2)9(12)13/h3-5H,1-2H3,(H3,12,13)(H,14,16)
InChIKeyYIDGFXWCRRBBNK-UHFFFAOYSA-N
XLogP2.01
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.01
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-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 4986373
2-[(2-chloro-6-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 66253516
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
CID 57023460
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 110190796
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
N-carbamimidoyl-7-chloro-N-methyl-1H-indole-2-carboxamide
CID 54494173
1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
CID 138398477
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
CID 21413966
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea?
The IUPAC name of 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea (CID 20543686) is 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea?
The canonical SMILES for 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea is [H]/N=C(\N)N(C)C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea?
The InChIKey is YIDGFXWCRRBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15(2)9(12)13/h3-5H,1-2H3,(H3,12,13)(H,14,16).
What are the key properties of 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea?
1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea has a molecular weight of 240.69 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea is sourced from PubChem (CID 20543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).