6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C9H16ClN5O2 — CID 615749

IUPAC6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCON(C)c1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O2/c1-14(2)7-11-8(15(3)16-4)13-9(12-7)17-6-5-10/h5-6H2,1-4H3
InChIKeyUPENVIZEYKSLGL-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.55
Rot. Bonds6

About 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 615749) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID615749
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Name6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCON(C)c1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O2/c1-14(2)7-11-8(15(3)16-4)13-9(12-7)17-6-5-10/h5-6H2,1-4H3
InChIKeyUPENVIZEYKSLGL-UHFFFAOYSA-N
XLogP0.55
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

s-Triazine-1,3,5-triamine, hexakis(2-choroethoxymethyl)-
CID 3057071
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-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
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-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
6-(2-Chloroethyloxy)-N,N-diethyl-N'-methoxy-N'-methyl-1,3,5-triazine-2,4-diamine
CID 606715
6-(2-Chloroethoxy)-N-cyano-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 609921
6-(2-Chloroethoxy)-2-(N,N-diethylamino)-4-(methoxyamino)-1,3,5-triazine
CID 611227
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 615749) is 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CON(C)c1nc(OCCCl)nc(N(C)C)n1.
What is the InChIKey of 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPENVIZEYKSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2/c1-14(2)7-11-8(15(3)16-4)13-9(12-7)17-6-5-10/h5-6H2,1-4H3.
What are the key properties of 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.71 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 615749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).