2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine

C20H26N12OS — CID 146588693

IUPAC2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1cocc1CNc1nc(N)nc(N(C)CCc2sccc2CNc2nc(N)nc(N)n2)n1
InChIInChI=1S/C20H26N12OS/c1-11-9-33-10-13(11)8-25-19-29-17(23)30-20(31-19)32(2)5-3-14-12(4-6-34-14)7-24-18-27-15(21)26-16(22)28-18/h4,6,9-10H,3,5,7-8H2,1-2H3,(H3,23,25,29,30,31)(H5,21,22,24,26,27,28)
InChIKeyZGTWZZJNYIMGMT-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.67
Rot. Bonds10

About 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 146588693) has the molecular formula C20H26N12OS and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID146588693
Molecular FormulaC20H26N12OS
Molecular Weight482.58 g/mol
Exact Mass482.21
IUPAC Name2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1cocc1CNc1nc(N)nc(N(C)CCc2sccc2CNc2nc(N)nc(N)n2)n1
InChIInChI=1S/C20H26N12OS/c1-11-9-33-10-13(11)8-25-19-29-17(23)30-20(31-19)32(2)5-3-14-12(4-6-34-14)7-24-18-27-15(21)26-16(22)28-18/h4,6,9-10H,3,5,7-8H2,1-2H3,(H3,23,25,29,30,31)(H5,21,22,24,26,27,28)
InChIKeyZGTWZZJNYIMGMT-UHFFFAOYSA-N
XLogP1.67
TPSA195.84 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine (CID 146588693) is 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine is Cc1cocc1CNc1nc(N)nc(N(C)CCc2sccc2CNc2nc(N)nc(N)n2)n1.
What is the InChIKey of 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZGTWZZJNYIMGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N12OS/c1-11-9-33-10-13(11)8-25-19-29-17(23)30-20(31-19)32(2)5-3-14-12(4-6-34-14)7-24-18-27-15(21)26-16(22)28-18/h4,6,9-10H,3,5,7-8H2,1-2H3,(H3,23,25,29,30,31)(H5,21,22,24,26,27,28).
What are the key properties of 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 482.58 g/mol, XLogP of 1.67, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-[2-[[4-amino-6-[(4-methylfuran-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]thiophen-3-yl]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146588693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).