6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

C13H14N6O2S — CID 58040162

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2nccs2)n1
InChIInChI=1S/C13H14N6O2S/c1-2-20-12-17-10(15-8-9-4-3-6-21-9)16-11(18-12)19-13-14-5-7-22-13/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18,19)
InChIKeyRANKNQXTWQGLHG-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.68
Rot. Bonds7

About 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58040162) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58040162
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2nccs2)n1
InChIInChI=1S/C13H14N6O2S/c1-2-20-12-17-10(15-8-9-4-3-6-21-9)16-11(18-12)19-13-14-5-7-22-13/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18,19)
InChIKeyRANKNQXTWQGLHG-UHFFFAOYSA-N
XLogP2.68
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 58040274
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-pyridin-3-yl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58039805
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80932085
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 768148
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (CID 58040162) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2nccs2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RANKNQXTWQGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-2-20-12-17-10(15-8-9-4-3-6-21-9)16-11(18-12)19-13-14-5-7-22-13/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18,19).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 318.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58040162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).