ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate

C7H8Cl2N4O2 — CID 14746261

IUPACethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O2/c1-2-15-4(14)3-10-7-12-5(8)11-6(9)13-7/h2-3H2,1H3,(H,10,11,12,13)
InChIKeyPMRPNUQSWQLRGZ-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.15
Rot. Bonds4

About ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate

ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 14746261) has the molecular formula C7H8Cl2N4O2 and a molecular weight of 251.07 g/mol. Its IUPAC name is ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate
PubChem CID14746261
Molecular FormulaC7H8Cl2N4O2
Molecular Weight251.07 g/mol
Exact Mass250.00
IUPAC Nameethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O2/c1-2-15-4(14)3-10-7-12-5(8)11-6(9)13-7/h2-3H2,1H3,(H,10,11,12,13)
InChIKeyPMRPNUQSWQLRGZ-UHFFFAOYSA-N
XLogP1.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate (CID 14746261) is ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is PMRPNUQSWQLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O2/c1-2-15-4(14)3-10-7-12-5(8)11-6(9)13-7/h2-3H2,1H3,(H,10,11,12,13).
What are the key properties of ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 251.07 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 14746261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).