N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

C11H19ClN4O2 — CID 62858394

IUPACN-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H19ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyZXDJUWVJRILJNK-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.15
Rot. Bonds9

About N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 62858394) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID62858394
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC NameN-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H19ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyZXDJUWVJRILJNK-UHFFFAOYSA-N
XLogP2.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.15
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 N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (CID 62858394) is N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is CCCCOCCNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is ZXDJUWVJRILJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3-8H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 274.75 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).