2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C19H24N12OS — CID 138455936

IUPAC2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(Nc2ccco2)nc(N(C)Cc2csc(N(C)c3nc(N)nc(N)n3)c2)n1
InChIInChI=1S/C19H24N12OS/c1-29(2)17-26-16(22-12-6-5-7-32-12)27-18(28-17)30(3)9-11-8-13(33-10-11)31(4)19-24-14(20)23-15(21)25-19/h5-8,10H,9H2,1-4H3,(H,22,26,27,28)(H4,20,21,23,24,25)
InChIKeyOHUBBEKDFGPNLD-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.09
Rot. Bonds8

About 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 138455936) has the molecular formula C19H24N12OS and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID138455936
Molecular FormulaC19H24N12OS
Molecular Weight468.55 g/mol
Exact Mass468.19
IUPAC Name2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(Nc2ccco2)nc(N(C)Cc2csc(N(C)c3nc(N)nc(N)n3)c2)n1
InChIInChI=1S/C19H24N12OS/c1-29(2)17-26-16(22-12-6-5-7-32-12)27-18(28-17)30(3)9-11-8-13(33-10-11)31(4)19-24-14(20)23-15(21)25-19/h5-8,10H,9H2,1-4H3,(H,22,26,27,28)(H4,20,21,23,24,25)
InChIKeyOHUBBEKDFGPNLD-UHFFFAOYSA-N
XLogP2.09
TPSA164.27 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-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-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 138455936) is 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(Nc2ccco2)nc(N(C)Cc2csc(N(C)c3nc(N)nc(N)n3)c2)n1.
What is the InChIKey of 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OHUBBEKDFGPNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N12OS/c1-29(2)17-26-16(22-12-6-5-7-32-12)27-18(28-17)30(3)9-11-8-13(33-10-11)31(4)19-24-14(20)23-15(21)25-19/h5-8,10H,9H2,1-4H3,(H,22,26,27,28)(H4,20,21,23,24,25).
What are the key properties of 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 468.55 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[[[4-(dimethylamino)-6-(furan-2-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]thiophen-2-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 138455936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).