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

C31H41N19O2 — CID 146588619

IUPAC2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NCCc2cc(Nc3nc(N)nc(NCCc4cc(CN(C)c5nc(N)nc(N(C)CCc6ccc[nH]6)n5)co4)n3)co2)n1
InChIInChI=1S/C31H41N19O2/c1-35-26-40-23(32)41-27(46-26)37-11-7-22-14-20(17-52-22)39-29-43-24(33)42-28(47-29)38-10-6-21-13-18(16-51-21)15-50(3)31-45-25(34)44-30(48-31)49(2)12-8-19-5-4-9-36-19/h4-5,9,13-14,16-17,36H,6-8,10-12,15H2,1-3H3,(H2,34,44,45,48)(H4,32,35,37,40,41,46)(H4,33,38,39,42,43,47)
InChIKeyPOSHZOMQQLLYAQ-UHFFFAOYSA-N
MW711.80 g/mol
LogP1.91
Rot. Bonds18

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

2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 146588619) has the molecular formula C31H41N19O2 and a molecular weight of 711.80 g/mol. Its IUPAC name is 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID146588619
Molecular FormulaC31H41N19O2
Molecular Weight711.80 g/mol
Exact Mass711.37
IUPAC Name2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NCCc2cc(Nc3nc(N)nc(NCCc4cc(CN(C)c5nc(N)nc(N(C)CCc6ccc[nH]6)n5)co4)n3)co2)n1
InChIInChI=1S/C31H41N19O2/c1-35-26-40-23(32)41-27(46-26)37-11-7-22-14-20(17-52-22)39-29-43-24(33)42-28(47-29)38-10-6-21-13-18(16-51-21)15-50(3)31-45-25(34)44-30(48-31)49(2)12-8-19-5-4-9-36-19/h4-5,9,13-14,16-17,36H,6-8,10-12,15H2,1-3H3,(H2,34,44,45,48)(H4,32,35,37,40,41,46)(H4,33,38,39,42,43,47)
InChIKeyPOSHZOMQQLLYAQ-UHFFFAOYSA-N
XLogP1.91
TPSA290.74 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500711.80
LogP ≤ 51.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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

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Launch Full Analysis

Related Compounds

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CID 134507992
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CID 86805148
6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
CID 126680957
4-furo[3,2-c]pyridin-4-yl-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895128
4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911653
N-ethyl-N-(2-methoxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 70792574
4-(6,7-dihydro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 70792580
N-(2-furo[3,2-b]pyridin-3-ylpropyl)-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 89868620
N-(2-furo[3,2-b]pyridin-7-ylpropyl)-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 89868653
N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 121440455
2-N-[[2-[2-[[4-amino-6-[(4-methyl-1H-pyrrol-3-yl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]furan-3-yl]methyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 130261579
2-N-[5-[[[4-(dimethylamino)-6-(1H-pyrrol-3-ylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]furan-3-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 138455937

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 146588619) is 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(NCCc2cc(Nc3nc(N)nc(NCCc4cc(CN(C)c5nc(N)nc(N(C)CCc6ccc[nH]6)n5)co4)n3)co2)n1.
What is the InChIKey of 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is POSHZOMQQLLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N19O2/c1-35-26-40-23(32)41-27(46-26)37-11-7-22-14-20(17-52-22)39-29-43-24(33)42-28(47-29)38-10-6-21-13-18(16-51-21)15-50(3)31-45-25(34)44-30(48-31)49(2)12-8-19-5-4-9-36-19/h4-5,9,13-14,16-17,36H,6-8,10-12,15H2,1-3H3,(H2,34,44,45,48)(H4,32,35,37,40,41,46)(H4,33,38,39,42,43,47).
What are the key properties of 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 711.80 g/mol, XLogP of 1.91, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4-[[4-amino-6-[2-[4-[[[4-amino-6-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]furan-2-yl]ethylamino]-1,3,5-triazin-2-yl]amino]furan-2-yl]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146588619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).