6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine

C7H13N5S — CID 130532691

IUPAC6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCNc1nc(C)nc(N)n1
InChIInChI=1S/C7H13N5S/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyCSOBGVZCMQOJCF-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.54
Rot. Bonds4

About 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine

6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532691) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID130532691
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
SMILESCSCCNc1nc(C)nc(N)n1
InChIInChI=1S/C7H13N5S/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyCSOBGVZCMQOJCF-UHFFFAOYSA-N
XLogP0.54
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
CID 58571407
6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 80839887
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid
CID 3394692
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine (CID 130532691) is 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is CSCCNc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CSOBGVZCMQOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 199.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).