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

C24H35N13O — CID 130243791

IUPAC2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CCNc2nc(N(C)C)nc(N(C)CN(CCc3ccc(C)o3)c3nc(N)nc(N)n3)n2)[nH]1
InChIInChI=1S/C24H35N13O/c1-15-6-8-17(28-15)10-12-27-21-32-22(35(3)4)34-23(33-21)36(5)14-37(13-11-18-9-7-16(2)38-18)24-30-19(25)29-20(26)31-24/h6-9,28H,10-14H2,1-5H3,(H,27,32,33,34)(H4,25,26,29,30,31)
InChIKeyMOJGJFALRRJKSD-UHFFFAOYSA-N
MW521.63 g/mol
LogP1.62
Rot. Bonds12

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

2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 130243791) has the molecular formula C24H35N13O and a molecular weight of 521.63 g/mol. Its IUPAC name is 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID130243791
Molecular FormulaC24H35N13O
Molecular Weight521.63 g/mol
Exact Mass521.31
IUPAC Name2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CCNc2nc(N(C)C)nc(N(C)CN(CCc3ccc(C)o3)c3nc(N)nc(N)n3)n2)[nH]1
InChIInChI=1S/C24H35N13O/c1-15-6-8-17(28-15)10-12-27-21-32-22(35(3)4)34-23(33-21)36(5)14-37(13-11-18-9-7-16(2)38-18)24-30-19(25)29-20(26)31-24/h6-9,28H,10-14H2,1-5H3,(H,27,32,33,34)(H4,25,26,29,30,31)
InChIKeyMOJGJFALRRJKSD-UHFFFAOYSA-N
XLogP1.62
TPSA180.06 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-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-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 130243791) is 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is Cc1ccc(CCNc2nc(N(C)C)nc(N(C)CN(CCc3ccc(C)o3)c3nc(N)nc(N)n3)n2)[nH]1.
What is the InChIKey of 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MOJGJFALRRJKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N13O/c1-15-6-8-17(28-15)10-12-27-21-32-22(35(3)4)34-23(33-21)36(5)14-37(13-11-18-9-7-16(2)38-18)24-30-19(25)29-20(26)31-24/h6-9,28H,10-14H2,1-5H3,(H,27,32,33,34)(H4,25,26,29,30,31).
What are the key properties of 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 521.63 g/mol, XLogP of 1.62, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[[4-(dimethylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N-[2-(5-methylfuran-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 130243791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).