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

C11H20ClN5O2 — CID 606715

IUPAC6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(OCCCl)nc(N(C)OC)n1
InChIInChI=1S/C11H20ClN5O2/c1-5-17(6-2)10-13-9(16(3)18-4)14-11(15-10)19-8-7-12/h5-8H2,1-4H3
InChIKeyOUXMNTPKXQSUJC-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.33
Rot. Bonds8

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

6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 606715) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID606715
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(OCCCl)nc(N(C)OC)n1
InChIInChI=1S/C11H20ClN5O2/c1-5-17(6-2)10-13-9(16(3)18-4)14-11(15-10)19-8-7-12/h5-8H2,1-4H3
InChIKeyOUXMNTPKXQSUJC-UHFFFAOYSA-N
XLogP1.33
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.33
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,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
6-(2-Chloroethoxy)-N-cyano-N',N'-diethyl-1,3,5-triazine-2,4-diamine
CID 609585
N-(2-Chloro-1-ethoxyethyl)-N-cyano-N',N',N'',N''-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 610162
6-(2-Chloroethoxy)-2-(N,N-diethylamino)-4-(methoxyamino)-1,3,5-triazine
CID 611227
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
4,6-diethoxy-N,N-diethyl-1,3,5-triazin-2-amine
CID 14251120
4-chloro-6-ethoxy-N,N-diethyl-1,3,5-triazin-2-amine
CID 62857212
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl][(2-chloroethoxy)methyl]cyanamide
CID 1885131

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 606715) is 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(OCCCl)nc(N(C)OC)n1.
What is the InChIKey of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OUXMNTPKXQSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2/c1-5-17(6-2)10-13-9(16(3)18-4)14-11(15-10)19-8-7-12/h5-8H2,1-4H3.
What are the key properties of 6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-(2-chloroethoxy)-2-N,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 1.33, 8 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,2-N-diethyl-4-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 606715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).