4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine

C10H17ClN4O2 — CID 62864751

IUPAC4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCOCC)n1
InChIInChI=1S/C10H17ClN4O2/c1-3-6-17-10-14-8(11)13-9(15-10)12-5-7-16-4-2/h3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyJJTXDKLGALAZCV-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.76
Rot. Bonds8

About 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62864751) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62864751
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCOCC)n1
InChIInChI=1S/C10H17ClN4O2/c1-3-6-17-10-14-8(11)13-9(15-10)12-5-7-16-4-2/h3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyJJTXDKLGALAZCV-UHFFFAOYSA-N
XLogP1.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62864751) is 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCCOCC)n1.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is JJTXDKLGALAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-3-6-17-10-14-8(11)13-9(15-10)12-5-7-16-4-2/h3-7H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 260.72 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).