1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride

C11H17ClN4O2 — CID 3049570

IUPAC1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
SMILESC/N=C(\N)NC(=O)Nc1c(C)cccc1OC.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7-5-4-6-8(17-3)9(7)14-11(16)15-10(12)13-2;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H
InChIKeyGIQDPWSFKPRNAO-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride

1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride (PubChem CID 3049570) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
PubChem CID3049570
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
SMILESC/N=C(\N)NC(=O)Nc1c(C)cccc1OC.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7-5-4-6-8(17-3)9(7)14-11(16)15-10(12)13-2;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H
InChIKeyGIQDPWSFKPRNAO-UHFFFAOYSA-N
XLogP1.49
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 88751377
(1Z)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 20543730
1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
CID 168664999
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159
1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 88689423
2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
CID 122536323
1-(2,6-dimethylphenyl)-3-(N'-pentan-2-ylcarbamimidoyl)urea;hydrochloride
CID 70615053
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride (CID 3049570) is 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride is C/N=C(\N)NC(=O)Nc1c(C)cccc1OC.Cl.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride?
The InChIKey is GIQDPWSFKPRNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.ClH/c1-7-5-4-6-8(17-3)9(7)14-11(16)15-10(12)13-2;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H.
What are the key properties of 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride?
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride is sourced from PubChem (CID 3049570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).