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

C9H13ClN4O — CID 62869613

IUPAC4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(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/h4H,1,5-6H2,2-3H3
InChIKeyXYYPSLAVQFJFTF-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.55
Rot. Bonds5

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

4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62869613) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62869613
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(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/h4H,1,5-6H2,2-3H3
InChIKeyXYYPSLAVQFJFTF-UHFFFAOYSA-N
XLogP1.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2-But-3-enoxy-4,6-dichloro-1,3,5-triazine
CID 62859572
4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 15926245
2-But-3-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
CID 62857369
2-But-3-enoxy-4-chloro-6-methoxy-1,3,5-triazine
CID 62858806
2-But-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
CID 62869271
2-But-3-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869272
4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62869784
4-but-2-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 76951031
2-Chloro-4-ethoxy-6-pent-4-enoxy-1,3,5-triazine
CID 79112950
4-chloro-N,N-diethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 79112951

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62869613) is 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is C=CCCOc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is XYYPSLAVQFJFTF-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/h4H,1,5-6H2,2-3H3.
What are the key properties of 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-but-3-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, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).