4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride

C6H14ClN5 — CID 76974536

IUPAC4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(C1=NC(C)N=C(N)N1)C([2H])([2H])[2H]
InChIInChI=1S/C6H13N5.ClH/c1-4-8-5(7)10-6(9-4)11(2)3;/h4H,1-3H3,(H3,7,8,9,10);1H/i2D3,3D3;
InChIKeyUXHLCYMTNMEXKZ-HVTBMTIBSA-N
MW197.70 g/mol
LogP-0.41
Rot. Bonds2

About 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride

4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride (PubChem CID 76974536) has the molecular formula C6H14ClN5 and a molecular weight of 197.70 g/mol. Its IUPAC name is 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
PubChem CID76974536
Molecular FormulaC6H14ClN5
Molecular Weight197.70 g/mol
Exact Mass197.13
IUPAC Name4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(C1=NC(C)N=C(N)N1)C([2H])([2H])[2H]
InChIInChI=1S/C6H13N5.ClH/c1-4-8-5(7)10-6(9-4)11(2)3;/h4H,1-3H3,(H3,7,8,9,10);1H/i2D3,3D3;
InChIKeyUXHLCYMTNMEXKZ-HVTBMTIBSA-N
XLogP-0.41
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.70
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride?
The IUPAC name of 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride (CID 76974536) is 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride.
What is the SMILES notation for 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride?
The canonical SMILES for 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride is Cl.[2H]C([2H])([2H])N(C1=NC(C)N=C(N)N1)C([2H])([2H])[2H].
What is the InChIKey of 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride?
The InChIKey is UXHLCYMTNMEXKZ-HVTBMTIBSA-N. The full InChI is InChI=1S/C6H13N5.ClH/c1-4-8-5(7)10-6(9-4)11(2)3;/h4H,1-3H3,(H3,7,8,9,10);1H/i2D3,3D3;.
What are the key properties of 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride?
4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride has a molecular weight of 197.70 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride is sourced from PubChem (CID 76974536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).