1-(4-amino-2-methylphenyl)-3-cyclopropylurea

C11H15N3O — CID 62698146

IUPAC1-(4-amino-2-methylphenyl)-3-cyclopropylurea
SMILESCc1cc(N)ccc1NC(=O)NC1CC1
InChIInChI=1S/C11H15N3O/c1-7-6-8(12)2-5-10(7)14-11(15)13-9-3-4-9/h2,5-6,9H,3-4,12H2,1H3,(H2,13,14,15)
InChIKeyVLOIGVYMZNNBPP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-amino-2-methylphenyl)-3-cyclopropylurea

1-(4-amino-2-methylphenyl)-3-cyclopropylurea (PubChem CID 62698146) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-amino-2-methylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(4-amino-2-methylphenyl)-3-cyclopropylurea
PubChem CID62698146
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(4-amino-2-methylphenyl)-3-cyclopropylurea
SMILESCc1cc(N)ccc1NC(=O)NC1CC1
InChIInChI=1S/C11H15N3O/c1-7-6-8(12)2-5-10(7)14-11(15)13-9-3-4-9/h2,5-6,9H,3-4,12H2,1H3,(H2,13,14,15)
InChIKeyVLOIGVYMZNNBPP-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(4-amino-2-methylphenyl)-3-cyclopropylurea (CID 62698146) is 1-(4-amino-2-methylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(4-amino-2-methylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(4-amino-2-methylphenyl)-3-cyclopropylurea is Cc1cc(N)ccc1NC(=O)NC1CC1.
What is the InChIKey of 1-(4-amino-2-methylphenyl)-3-cyclopropylurea?
The InChIKey is VLOIGVYMZNNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-6-8(12)2-5-10(7)14-11(15)13-9-3-4-9/h2,5-6,9H,3-4,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-2-methylphenyl)-3-cyclopropylurea?
1-(4-amino-2-methylphenyl)-3-cyclopropylurea has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 62698146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).