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

C9H18N6S — CID 597828

IUPAC6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCSCCC(N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H18N6S/c1-15(2)9-13-7(12-8(11)14-9)6(10)4-5-16-3/h6H,4-5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyHOCYPLNHMJMBHA-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.27
Rot. Bonds5

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

6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 597828) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID597828
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCSCCC(N)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H18N6S/c1-15(2)9-13-7(12-8(11)14-9)6(10)4-5-16-3/h6H,4-5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyHOCYPLNHMJMBHA-UHFFFAOYSA-N
XLogP0.27
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 597828) is 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CSCCC(N)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HOCYPLNHMJMBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-15(2)9-13-7(12-8(11)14-9)6(10)4-5-16-3/h6H,4-5,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 242.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-methylsulfanylpropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 597828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).