1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea

C12H16N4O2 — CID 107469918

IUPAC1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)NC1CC1
InChIInChI=1S/C12H16N4O2/c1-18-9-4-2-3-8(11(13)14)10(9)16-12(17)15-7-5-6-7/h2-4,7H,5-6H2,1H3,(H3,13,14)(H2,15,16,17)
InChIKeyBHGZWWZVECRQNP-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea

1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea (PubChem CID 107469918) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
PubChem CID107469918
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)NC1CC1
InChIInChI=1S/C12H16N4O2/c1-18-9-4-2-3-8(11(13)14)10(9)16-12(17)15-7-5-6-7/h2-4,7H,5-6H2,1H3,(H3,13,14)(H2,15,16,17)
InChIKeyBHGZWWZVECRQNP-UHFFFAOYSA-N
XLogP1.26
TPSA100.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.26
H-Bond Donors ≤ 54
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

ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-cyclohexyloxy-3-methoxybenzenecarboximidamide
CID 82253454
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea (CID 107469918) is 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea is [H]/N=C(\N)c1cccc(OC)c1NC(=O)NC1CC1.
What is the InChIKey of 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea?
The InChIKey is BHGZWWZVECRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-9-4-2-3-8(11(13)14)10(9)16-12(17)15-7-5-6-7/h2-4,7H,5-6H2,1H3,(H3,13,14)(H2,15,16,17).
What are the key properties of 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea?
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea has a molecular weight of 248.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea is sourced from PubChem (CID 107469918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).