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

C6H14ClN5 — CID 176526025

IUPAC(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(C1=N[C@H](C)NC(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/t4-;/m1./s1/i2D3,3D3;
InChIKeyUXHLCYMTNMEXKZ-JQGDNQIWSA-N
MW197.70 g/mol
LogP-0.41
Rot. Bonds2

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

(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 176526025) has the molecular formula C6H14ClN5 and a molecular weight of 197.70 g/mol. Its IUPAC name is (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID176526025
Molecular FormulaC6H14ClN5
Molecular Weight197.70 g/mol
Exact Mass197.13
IUPAC Name(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(C1=N[C@H](C)NC(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/t4-;/m1./s1/i2D3,3D3;
InChIKeyUXHLCYMTNMEXKZ-JQGDNQIWSA-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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Related Compounds

4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533747
4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
CID 76974536
(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590856
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533742
2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 58281251
2-N,2-N,6-trimethyl-1,2-dihydro-1,3,5-triazine-2,4-diamine;hydrochloride
CID 176519754
4-N-[4-[[6-(dimethylamino)-4-methyl-1,4-dihydro-1,3,5-triazin-2-yl]-methylamino]butyl]-6-N-ethyl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176539765
(2S)-2,5-dimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine
CID 136590852
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
2-N,2-N-dimethyl-6-[[methyl(piperidin-4-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 79717108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride (CID 176526025) is (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride is Cl.[2H]C([2H])([2H])N(C1=N[C@H](C)NC(N)=N1)C([2H])([2H])[2H].
What is the InChIKey of (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is UXHLCYMTNMEXKZ-JQGDNQIWSA-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/t4-;/m1./s1/i2D3,3D3;.
What are the key properties of (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride?
(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-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 (2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 176526025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).