6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine

C8H14ClN5 — CID 169436041

IUPAC6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])([2H])N(c1nc(Cl)nc(NC)n1)C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H14ClN5/c1-4-14(5-2)8-12-6(9)11-7(10-3)13-8/h4-5H2,1-3H3,(H,10,11,12,13)/i1D3,2D3,4D2,5D2
InChIKeyJTOXFTHSONSSIJ-IZUSZFKNSA-N
MW225.75 g/mol
LogP1.41
Rot. Bonds6

About 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 169436041) has the molecular formula C8H14ClN5 and a molecular weight of 225.75 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
PubChem CID169436041
Molecular FormulaC8H14ClN5
Molecular Weight225.75 g/mol
Exact Mass225.16
IUPAC Name6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])([2H])N(c1nc(Cl)nc(NC)n1)C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C8H14ClN5/c1-4-14(5-2)8-12-6(9)11-7(10-3)13-8/h4-5H2,1-3H3,(H,10,11,12,13)/i1D3,2D3,4D2,5D2
InChIKeyJTOXFTHSONSSIJ-IZUSZFKNSA-N
XLogP1.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.75
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-(cyanomethyl)amino]acetonitrile
CID 80754360
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
CID 18343810
CID 18343810
3-[benzyl-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 110172874
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80810624

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine (CID 169436041) is 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine is [2H]C([2H])([2H])C([2H])([2H])N(c1nc(Cl)nc(NC)n1)C([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JTOXFTHSONSSIJ-IZUSZFKNSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4-14(5-2)8-12-6(9)11-7(10-3)13-8/h4-5H2,1-3H3,(H,10,11,12,13)/i1D3,2D3,4D2,5D2.
What are the key properties of 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.75 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 169436041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).