4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C10H19N5S — CID 71752366

IUPAC4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C(Nc1nc(NCC)nc(SC)n1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)/i2D3,3D3,4D3
InChIKeyIROINLKCQGIITA-WVZRYRIDSA-N
MW250.42 g/mol
LogP2.24
Rot. Bonds4

About 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 71752366) has the molecular formula C10H19N5S and a molecular weight of 250.42 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID71752366
Molecular FormulaC10H19N5S
Molecular Weight250.42 g/mol
Exact Mass250.19
IUPAC Name4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C(Nc1nc(NCC)nc(SC)n1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)/i2D3,3D3,4D3
InChIKeyIROINLKCQGIITA-WVZRYRIDSA-N
XLogP2.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
CID 88729028
CID 88729028
2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 977257
bis(2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine);bis((2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate)
CID 173357760
[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl] thiocyanate
CID 110189308
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
2-[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]isoindole-1,3-dione
CID 154139923
4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 71752366) is 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is [2H]C([2H])([2H])C(Nc1nc(NCC)nc(SC)n1)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IROINLKCQGIITA-WVZRYRIDSA-N. The full InChI is InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)/i2D3,3D3,4D3.
What are the key properties of 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 250.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71752366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).