1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea

C10H15N3O3 — CID 18006545

IUPAC1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(OC)c(NC)cc1O
InChIInChI=1S/C10H15N3O3/c1-11-7-4-8(14)6(5-9(7)16-3)13-10(15)12-2/h4-5,11,14H,1-3H3,(H2,12,13,15)
InChIKeyWLMJACMRWODQDT-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea

1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea (PubChem CID 18006545) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
PubChem CID18006545
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(OC)c(NC)cc1O
InChIInChI=1S/C10H15N3O3/c1-11-7-4-8(14)6(5-9(7)16-3)13-10(15)12-2/h4-5,11,14H,1-3H3,(H2,12,13,15)
InChIKeyWLMJACMRWODQDT-UHFFFAOYSA-N
XLogP1.19
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
CID 115168935
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea
CID 175200218
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
CID 163275234

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea?
The IUPAC name of 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea (CID 18006545) is 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea?
The canonical SMILES for 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea is CNC(=O)Nc1cc(OC)c(NC)cc1O.
What is the InChIKey of 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea?
The InChIKey is WLMJACMRWODQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-11-7-4-8(14)6(5-9(7)16-3)13-10(15)12-2/h4-5,11,14H,1-3H3,(H2,12,13,15).
What are the key properties of 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea?
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea has a molecular weight of 225.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea is sourced from PubChem (CID 18006545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).