6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C11H20ClN5 — CID 55125269

IUPAC6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-17(7-8(2)3)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3
InChIKeyZTKJGKXLRPQQID-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.07
Rot. Bonds5

About 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 55125269) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID55125269
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-17(7-8(2)3)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3
InChIKeyZTKJGKXLRPQQID-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55125314
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107400373
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849489
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
CID 63228323
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 55125269) is 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CCN(CC(C)C)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTKJGKXLRPQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-6-17(7-8(2)3)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).