4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C9H13ClN4O — CID 76951031

IUPAC4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCC=CCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H13ClN4O/c1-4-5-6-15-9-12-7(10)11-8(13-9)14(2)3/h4-5H,6H2,1-3H3
InChIKeyCVAMFEZYVYULIV-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.55
Rot. Bonds4

About 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 76951031) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID76951031
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCC=CCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H13ClN4O/c1-4-5-6-15-9-12-7(10)11-8(13-9)14(2)3/h4-5H,6H2,1-3H3
InChIKeyCVAMFEZYVYULIV-UHFFFAOYSA-N
XLogP1.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 76951031) is 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CC=CCOc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is CVAMFEZYVYULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-4-5-6-15-9-12-7(10)11-8(13-9)14(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 76951031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).