2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C10H19N5S — CID 167995485

IUPAC2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])(Nc1nc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])nc(SC)n1)C([2H])([2H])[2H]
InChIInChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)/i1D3,2D3,3D3,4D3,6D,7D
InChIKeyAAEVYOVXGOFMJO-MFVRGKIVSA-N
MW255.45 g/mol
LogP2.23
Rot. Bonds9

About 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 167995485) has the molecular formula C10H19N5S and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID167995485
Molecular FormulaC10H19N5S
Molecular Weight255.45 g/mol
Exact Mass255.22
IUPAC Name2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])(Nc1nc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])nc(SC)n1)C([2H])([2H])[2H]
InChIInChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)/i1D3,2D3,3D3,4D3,6D,7D
InChIKeyAAEVYOVXGOFMJO-MFVRGKIVSA-N
XLogP2.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ametryn
CID 13263
Terbutryn
CID 13450
Prometryn
CID 4929
Irgarol
CID 91590
Simetryn
CID 13905
Aziprotryne
CID 3032472
Methoprotryne
CID 13290
Desmetryn
CID 13904
Dimethametryn
CID 31573
Dipropetryn
CID 20105
Deethylterbutryne
CID 13019211
Deethylametryne
CID 608030

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 167995485) is 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is [2H]C([2H])([2H])C([2H])(Nc1nc(NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])nc(SC)n1)C([2H])([2H])[2H].
What is the InChIKey of 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AAEVYOVXGOFMJO-MFVRGKIVSA-N. The full InChI is InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)/i1D3,2D3,3D3,4D3,6D,7D.
What are the key properties of 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167995485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).