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

C13H19N5OS — CID 80892759

IUPAC6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(SCc2ccco2)nc(N(C)C)n1
InChIInChI=1S/C13H19N5OS/c1-4-7-14-11-15-12(18(2)3)17-13(16-11)20-9-10-6-5-8-19-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16,17)
InChIKeyQPUFXENYHQZDCX-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.64
Rot. Bonds7

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

6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80892759) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80892759
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(SCc2ccco2)nc(N(C)C)n1
InChIInChI=1S/C13H19N5OS/c1-4-7-14-11-15-12(18(2)3)17-13(16-11)20-9-10-6-5-8-19-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16,17)
InChIKeyQPUFXENYHQZDCX-UHFFFAOYSA-N
XLogP2.64
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-N-[2-(furan-2-yl)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80781292
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80887790
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80991069

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80892759) is 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(SCc2ccco2)nc(N(C)C)n1.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QPUFXENYHQZDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-7-14-11-15-12(18(2)3)17-13(16-11)20-9-10-6-5-8-19-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 2.64, 7 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-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80892759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).