ethyl N-(2,4-diamino-5-methylphenyl)carbamate

C10H15N3O2 — CID 154351383

IUPACethyl N-(2,4-diamino-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(N)cc1N
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)13-9-4-6(2)7(11)5-8(9)12/h4-5H,3,11-12H2,1-2H3,(H,13,14)
InChIKeyFLYOVQJWYPIBCS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.73
Rot. Bonds2

About ethyl N-(2,4-diamino-5-methylphenyl)carbamate

ethyl N-(2,4-diamino-5-methylphenyl)carbamate (PubChem CID 154351383) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl N-(2,4-diamino-5-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4-diamino-5-methylphenyl)carbamate
PubChem CID154351383
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl N-(2,4-diamino-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(N)cc1N
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)13-9-4-6(2)7(11)5-8(9)12/h4-5H,3,11-12H2,1-2H3,(H,13,14)
InChIKeyFLYOVQJWYPIBCS-UHFFFAOYSA-N
XLogP1.73
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,4-diamino-5-methylphenyl)carbamate?
The IUPAC name of ethyl N-(2,4-diamino-5-methylphenyl)carbamate (CID 154351383) is ethyl N-(2,4-diamino-5-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2,4-diamino-5-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(2,4-diamino-5-methylphenyl)carbamate is CCOC(=O)Nc1cc(C)c(N)cc1N.
What is the InChIKey of ethyl N-(2,4-diamino-5-methylphenyl)carbamate?
The InChIKey is FLYOVQJWYPIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)13-9-4-6(2)7(11)5-8(9)12/h4-5H,3,11-12H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(2,4-diamino-5-methylphenyl)carbamate?
ethyl N-(2,4-diamino-5-methylphenyl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4-diamino-5-methylphenyl)carbamate is sourced from PubChem (CID 154351383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).