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

C16H24N6O2 — CID 58039571

IUPAC6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(NC2CCN(C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-3-23-16-20-14(17-11-13-5-4-10-24-13)19-15(21-16)18-12-6-8-22(2)9-7-12/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyACBZIPHCAMPDLH-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.98
Rot. Bonds7

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

6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58039571) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58039571
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(NC2CCN(C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-3-23-16-20-14(17-11-13-5-4-10-24-13)19-15(21-16)18-12-6-8-22(2)9-7-12/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyACBZIPHCAMPDLH-UHFFFAOYSA-N
XLogP1.98
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-ethoxy-2-N-(1-methylpiperidin-4-yl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 67016013
2-N-(4-bromophenyl)-6-ethoxy-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 58039345
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 58040162
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(2-methyl-3H-indol-6-yl)-1,3,5-triazine-2,4-diamine
CID 58040142
6-ethoxy-4-N-ethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 80798193
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(4-pyridin-3-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 58040274
4-ethoxy-6-hydrazinyl-N-(1-propylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 80901771
2-N-(1,3-dimethylpiperidin-4-yl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 114506403
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
CID 67015784
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 58039571) is 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(NC2CCN(C)CC2)n1.
What is the InChIKey of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ACBZIPHCAMPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-23-16-20-14(17-11-13-5-4-10-24-13)19-15(21-16)18-12-6-8-22(2)9-7-12/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 332.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58039571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).