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

C10H13N5OS — CID 80893164

IUPAC6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(SCc2ccco2)n1
InChIInChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyUUBOBDPUNPWWFO-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.41
Rot. Bonds4

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

6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80893164) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80893164
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(SCc2ccco2)n1
InChIInChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyUUBOBDPUNPWWFO-UHFFFAOYSA-N
XLogP1.41
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 55125089
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
CID 25316797
5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
CID 106999439
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 103288765
5-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 70384231
1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
CID 144838750
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80893164) is 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(SCc2ccco2)n1.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UUBOBDPUNPWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80893164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).