1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine

C87H85N27O9 — CID 159038918

IUPAC1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine
SMILESCCOC1C(=O)N(c2nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)n2)C(=O)N1Cc1ccccc1.CN(C)c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.c1ccn(-c2nc(-n3cccc3)nc(-n3cccc3)n2)c1
InChIInChI=1S/C39H39N9O9.C17H18N6.C16H16N6.C15H12N6/c1-4-55-31-28(49)46(37(52)43(31)22-25-16-10-7-11-17-25)34-40-35(47-29(50)32(56-5-2)44(38(47)53)23-26-18-12-8-13-19-26)42-36(41-34)48-30(51)33(57-6-3)45(39(48)54)24-27-20-14-9-15-21-27;1-23(2)17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14;1-17-14-20-15(18-12-8-4-2-5-9-12)22-16(21-14)19-13-10-6-3-7-11-13;1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h7-21,31-33H,4-6,22-24H2,1-3H3;3-12H,1-2H3,(H2,18,19,20,21,22);2-11H,1H3,(H3,17,18,19,20,21,22);1-12H
InChIKeyJVULRXTZODNECH-UHFFFAOYSA-N
MW1652.82 g/mol
LogP12.93
Rot. Bonds28

About 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine

1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine (PubChem CID 159038918) has the molecular formula C87H85N27O9 and a molecular weight of 1652.82 g/mol. Its IUPAC name is 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine
PubChem CID159038918
Molecular FormulaC87H85N27O9
Molecular Weight1652.82 g/mol
Exact Mass1651.70
IUPAC Name1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine
SMILESCCOC1C(=O)N(c2nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)n2)C(=O)N1Cc1ccccc1.CN(C)c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.c1ccn(-c2nc(-n3cccc3)nc(-n3cccc3)n2)c1
InChIInChI=1S/C39H39N9O9.C17H18N6.C16H16N6.C15H12N6/c1-4-55-31-28(49)46(37(52)43(31)22-25-16-10-7-11-17-25)34-40-35(47-29(50)32(56-5-2)44(38(47)53)23-26-18-12-8-13-19-26)42-36(41-34)48-30(51)33(57-6-3)45(39(48)54)24-27-20-14-9-15-21-27;1-23(2)17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14;1-17-14-20-15(18-12-8-4-2-5-9-12)22-16(21-14)19-13-10-6-3-7-11-13;1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h7-21,31-33H,4-6,22-24H2,1-3H3;3-12H,1-2H3,(H2,18,19,20,21,22);2-11H,1H3,(H3,17,18,19,20,21,22);1-12H
InChIKeyJVULRXTZODNECH-UHFFFAOYSA-N
XLogP12.93
TPSA382.41 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.82
LogP ≤ 512.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine?
The IUPAC name of 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine (CID 159038918) is 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine?
The canonical SMILES for 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine is CCOC1C(=O)N(c2nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)nc(N3C(=O)C(OCC)N(Cc4ccccc4)C3=O)n2)C(=O)N1Cc1ccccc1.CN(C)c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.c1ccn(-c2nc(-n3cccc3)nc(-n3cccc3)n2)c1.
What is the InChIKey of 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine?
The InChIKey is JVULRXTZODNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N9O9.C17H18N6.C16H16N6.C15H12N6/c1-4-55-31-28(49)46(37(52)43(31)22-25-16-10-7-11-17-25)34-40-35(47-29(50)32(56-5-2)44(38(47)53)23-26-18-12-8-13-19-26)42-36(41-34)48-30(51)33(57-6-3)45(39(48)54)24-27-20-14-9-15-21-27;1-23(2)17-21-15(18-13-9-5-3-6-10-13)20-16(22-17)19-14-11-7-4-8-12-14;1-17-14-20-15(18-12-8-4-2-5-9-12)22-16(21-14)19-13-10-6-3-7-11-13;1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h7-21,31-33H,4-6,22-24H2,1-3H3;3-12H,1-2H3,(H2,18,19,20,21,22);2-11H,1H3,(H3,17,18,19,20,21,22);1-12H.
What are the key properties of 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine?
1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine has a molecular weight of 1652.82 g/mol, XLogP of 12.93, 28 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4,6-bis(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1,3,5-triazin-2-yl]-5-ethoxyimidazolidine-2,4-dione;2-N,2-N-dimethyl-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2,4,6-tri(pyrrol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 159038918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).