6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C10H20N6S — CID 66227987

IUPAC6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(N)CSCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6S/c1-4-7(11)5-17-6-8-13-9(12)15-10(14-8)16(2)3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyDTJFDHLJOQLOLC-UHFFFAOYSA-N
MW256.38 g/mol
LogP0.49
Rot. Bonds6

About 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66227987) has the molecular formula C10H20N6S and a molecular weight of 256.38 g/mol. Its IUPAC name is 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID66227987
Molecular FormulaC10H20N6S
Molecular Weight256.38 g/mol
Exact Mass256.15
IUPAC Name6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(N)CSCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6S/c1-4-7(11)5-17-6-8-13-9(12)15-10(14-8)16(2)3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyDTJFDHLJOQLOLC-UHFFFAOYSA-N
XLogP0.49
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Ethylamino-4-isopropylamino-6-thiomethyl-1,3,5-triazine
CID 57037219
(2,4-Di(isopropylamino)-6-thiomethyl-1,3,5-triazine)
CID 57213474
2-Methylamino-4-isopropylamino-6-thiomethyl-1,3,5-triazine
CID 57220320
2-Thiomethyl-4-ethylamino-6-t-butylamino-s-triazine
CID 129695061
2-N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746507
2-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746512
6-(difluoromethyl)-2-N-(1-methylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 136558016
2-(1-Amino-3-methylthiopropyl)-4-amino-6-dimethylamino-S-triazine
CID 597828
4-(Ethylamino)-6-(propan-2-ylamino)-1,3,5-triazine-2-carbothialdehyde
CID 21161197
4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carbothialdehyde
CID 21161206
4-(Methylamino)-6-(propan-2-ylamino)-1,3,5-triazine-2-carbothialdehyde
CID 21161214
4-(Butan-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazine-2-carbothialdehyde
CID 21561834

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 66227987) is 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCC(N)CSCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DTJFDHLJOQLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6S/c1-4-7(11)5-17-6-8-13-9(12)15-10(14-8)16(2)3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 256.38 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66227987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).