4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

C9H14Cl2N4O2 — CID 598552

IUPAC4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OCC(Cl)CCl)nc(N(C)C)n1
InChIInChI=1S/C9H14Cl2N4O2/c1-15(2)7-12-8(16-3)14-9(13-7)17-5-6(11)4-10/h6H,4-5H2,1-3H3
InChIKeyHLGNGDPBIFIYNP-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.17
Rot. Bonds6

About 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 598552) has the molecular formula C9H14Cl2N4O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID598552
Molecular FormulaC9H14Cl2N4O2
Molecular Weight281.14 g/mol
Exact Mass280.05
IUPAC Name4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OCC(Cl)CCl)nc(N(C)C)n1
InChIInChI=1S/C9H14Cl2N4O2/c1-15(2)7-12-8(16-3)14-9(13-7)17-5-6(11)4-10/h6H,4-5H2,1-3H3
InChIKeyHLGNGDPBIFIYNP-UHFFFAOYSA-N
XLogP1.17
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine-1,3,5-triamine, hexakis(2-choroethoxymethyl)-
CID 3057071
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
6-(2-Chloroethoxy)-N-methoxy-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 611055
6-(2-Chloroethoxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 618604
2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine
CID 777136
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
6-(2-Chloroethoxy)-N-methoxy-N,N',N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 615749
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043
4-(2-Chloroethoxy)-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23268774
2,4,6-Tris(2,3-dichloropropoxy)-1,3,5-triazine
CID 102414053
2-Chloro-4-(2-chloroethoxy)-6-ethoxy-1,3,5-triazine
CID 152754708

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 598552) is 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is COc1nc(OCC(Cl)CCl)nc(N(C)C)n1.
What is the InChIKey of 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is HLGNGDPBIFIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4O2/c1-15(2)7-12-8(16-3)14-9(13-7)17-5-6(11)4-10/h6H,4-5H2,1-3H3.
What are the key properties of 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 281.14 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 598552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).