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

C10H18N6S — CID 66290922

IUPAC6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCC2CNC2)n1
InChIInChI=1S/C10H18N6S/c1-16(2)10-14-8(13-9(11)15-10)6-17-5-7-3-12-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyWOCNAUGEKKLRHI-UHFFFAOYSA-N
MW254.36 g/mol
LogP-0.03
Rot. Bonds5

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

6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66290922) has the molecular formula C10H18N6S and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID66290922
Molecular FormulaC10H18N6S
Molecular Weight254.36 g/mol
Exact Mass254.13
IUPAC Name6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCC2CNC2)n1
InChIInChI=1S/C10H18N6S/c1-16(2)10-14-8(13-9(11)15-10)6-17-5-7-3-12-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyWOCNAUGEKKLRHI-UHFFFAOYSA-N
XLogP-0.03
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 66290922) is 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSCC2CNC2)n1.
What is the InChIKey of 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WOCNAUGEKKLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6S/c1-16(2)10-14-8(13-9(11)15-10)6-17-5-7-3-12-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15).
What are the key properties of 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 254.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66290922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).