ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate

C18H17N5O2 — CID 175015136

IUPACethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-2-25-18(24)23(15-11-7-4-8-12-15)17-20-13-19-16(22-17)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21,22)
InChIKeyGFIFZZPWOVLUHK-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.91
Rot. Bonds5

About ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate

ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate (PubChem CID 175015136) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate
PubChem CID175015136
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Nameethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-2-25-18(24)23(15-11-7-4-8-12-15)17-20-13-19-16(22-17)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21,22)
InChIKeyGFIFZZPWOVLUHK-UHFFFAOYSA-N
XLogP3.91
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate?
The IUPAC name of ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate (CID 175015136) is ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate.
What is the SMILES notation for ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate?
The canonical SMILES for ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate is CCOC(=O)N(c1ccccc1)c1ncnc(Nc2ccccc2)n1.
What is the InChIKey of ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate?
The InChIKey is GFIFZZPWOVLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-25-18(24)23(15-11-7-4-8-12-15)17-20-13-19-16(22-17)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21,22).
What are the key properties of ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate?
ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate has a molecular weight of 335.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate is sourced from PubChem (CID 175015136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).