2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C50H84N10O18 — CID 159319064

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC.COCc1cc(C(C)(C)c2cc(COC)c(O)c(COC)c2)cc(COC)c1O
InChIInChI=1S/C23H32O6.C15H30N6O6.C12H22N4O6/c1-23(2,19-7-15(11-26-3)21(24)16(8-19)12-27-4)20-9-17(13-28-5)22(25)18(10-20)14-29-6;1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h7-10,24-25H,11-14H2,1-6H3;7-12H2,1-6H3;9-10H,5-8H2,1-4H3
InChIKeyLDNDJTMEINOAHB-UHFFFAOYSA-N
MW1113.27 g/mol
LogP3.45
Rot. Bonds33

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 159319064) has the molecular formula C50H84N10O18 and a molecular weight of 1113.27 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID159319064
Molecular FormulaC50H84N10O18
Molecular Weight1113.27 g/mol
Exact Mass1112.60
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC.COCc1cc(C(C)(C)c2cc(COC)c(O)c(COC)c2)cc(COC)c1O
InChIInChI=1S/C23H32O6.C15H30N6O6.C12H22N4O6/c1-23(2,19-7-15(11-26-3)21(24)16(8-19)12-27-4)20-9-17(13-28-5)22(25)18(10-20)14-29-6;1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h7-10,24-25H,11-14H2,1-6H3;7-12H2,1-6H3;9-10H,5-8H2,1-4H3
InChIKeyLDNDJTMEINOAHB-UHFFFAOYSA-N
XLogP3.45
TPSA265.17 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one;1-[3-acetyl-2-hydroxy-5-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]phenyl]ethanone;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;3,4-diacetyl-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 157330785
3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
CID 158021255
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol
CID 121336558
2-[5-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2-hydroxy-3-(2-oxoethyl)phenyl]acetaldehyde
CID 137470495
4-[2-[4-[1-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-1-[4-hydroxy-3-(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol
CID 157433719
1,3,4,6-tetrakis(methoxymethyl)-5-sulfanylidene-3a,6a-dihydroimidazo[4,5-d]imidazol-2-one
CID 139341175
4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
CID 176631810
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
[[4,6-bis[methoxymethyl(prop-2-enoyloxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methyl prop-2-enoate
CID 132518202
1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 71179239

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 159319064) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC.COCc1cc(C(C)(C)c2cc(COC)c(O)c(COC)c2)cc(COC)c1O.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is LDNDJTMEINOAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6.C15H30N6O6.C12H22N4O6/c1-23(2,19-7-15(11-26-3)21(24)16(8-19)12-27-4)20-9-17(13-28-5)22(25)18(10-20)14-29-6;1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h7-10,24-25H,11-14H2,1-6H3;7-12H2,1-6H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 1113.27 g/mol, XLogP of 3.45, 33 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;4-[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 159319064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).