[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate

C16H19N5O2 — CID 7782044

IUPAC[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC2)n1
InChIInChI=1S/C16H19N5O2/c1-2-10-5-3-4-6-12(10)18-16-20-13(19-15(17)21-16)9-23-14(22)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyNZVUMMIVOSXBGU-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.21
Rot. Bonds6

About [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate (PubChem CID 7782044) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
PubChem CID7782044
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC2)n1
InChIInChI=1S/C16H19N5O2/c1-2-10-5-3-4-6-12(10)18-16-20-13(19-15(17)21-16)9-23-14(22)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyNZVUMMIVOSXBGU-UHFFFAOYSA-N
XLogP2.21
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate (CID 7782044) is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate is CCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC2)n1.
What is the InChIKey of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate?
The InChIKey is NZVUMMIVOSXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-10-5-3-4-6-12(10)18-16-20-13(19-15(17)21-16)9-23-14(22)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H3,17,18,19,20,21).
What are the key properties of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate?
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 7782044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).