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

C23H32N12OS — CID 130262164

IUPAC2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cocc1CCNc1nc(N)nc(N(C)Cc2cc(CCN(C)c3nc(N)nc(N)n3)c(C)s2)n1
InChIInChI=1S/C23H32N12OS/c1-13-11-36-12-16(13)5-7-27-21-29-20(26)32-23(33-21)35(4)10-17-9-15(14(2)37-17)6-8-34(3)22-30-18(24)28-19(25)31-22/h9,11-12H,5-8,10H2,1-4H3,(H4,24,25,28,30,31)(H3,26,27,29,32,33)
InChIKeyCZVWMXNZHUXCKV-UHFFFAOYSA-N
MW524.66 g/mol
LogP2.04
Rot. Bonds11

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

2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 130262164) has the molecular formula C23H32N12OS and a molecular weight of 524.66 g/mol. Its IUPAC name is 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID130262164
Molecular FormulaC23H32N12OS
Molecular Weight524.66 g/mol
Exact Mass524.25
IUPAC Name2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cocc1CCNc1nc(N)nc(N(C)Cc2cc(CCN(C)c3nc(N)nc(N)n3)c(C)s2)n1
InChIInChI=1S/C23H32N12OS/c1-13-11-36-12-16(13)5-7-27-21-29-20(26)32-23(33-21)35(4)10-17-9-15(14(2)37-17)6-8-34(3)22-30-18(24)28-19(25)31-22/h9,11-12H,5-8,10H2,1-4H3,(H4,24,25,28,30,31)(H3,26,27,29,32,33)
InChIKeyCZVWMXNZHUXCKV-UHFFFAOYSA-N
XLogP2.04
TPSA187.05 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-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-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 130262164) is 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is Cc1cocc1CCNc1nc(N)nc(N(C)Cc2cc(CCN(C)c3nc(N)nc(N)n3)c(C)s2)n1.
What is the InChIKey of 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CZVWMXNZHUXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N12OS/c1-13-11-36-12-16(13)5-7-27-21-29-20(26)32-23(33-21)35(4)10-17-9-15(14(2)37-17)6-8-34(3)22-30-18(24)28-19(25)31-22/h9,11-12H,5-8,10H2,1-4H3,(H4,24,25,28,30,31)(H3,26,27,29,32,33).
What are the key properties of 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 524.66 g/mol, XLogP of 2.04, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[5-[[[4-amino-6-[2-(4-methylfuran-3-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-methylthiophen-3-yl]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 130262164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).