6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

C13H24ClN5O — CID 63692736

IUPAC6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCN(CC)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C13H24ClN5O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3
InChIKeyONXVSDHJNMGWHT-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.23
Rot. Bonds9

About 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (PubChem CID 63692736) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
PubChem CID63692736
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCN(CC)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C13H24ClN5O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3
InChIKeyONXVSDHJNMGWHT-UHFFFAOYSA-N
XLogP2.23
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 81061963
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
CID 63692737
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 80687134
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
4,6-dichloro-N,N-bis(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 55023614
[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219900

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (CID 63692736) is 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is CCOCCN(CC)c1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ONXVSDHJNMGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3.
What are the key properties of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 301.82 g/mol, XLogP of 2.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63692736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).