6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine

C25H42N10O8 — CID 59409277

IUPAC6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1nc(CCC2OCC3(CO2)COC(CCc2nc(NCOC)nc(NCOC)n2)OC3)nc(NCOC)n1
InChIInChI=1S/C25H42N10O8/c1-36-13-26-21-30-17(31-22(34-21)27-14-37-2)5-7-19-40-9-25(10-41-19)11-42-20(43-12-25)8-6-18-32-23(28-15-38-3)35-24(33-18)29-16-39-4/h19-20H,5-16H2,1-4H3,(H2,26,27,30,31,34)(H2,28,29,32,33,35)
InChIKeyYZQDJYDLHXBPSC-UHFFFAOYSA-N
MW610.67 g/mol
LogP0.42
Rot. Bonds18

About 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine

6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 59409277) has the molecular formula C25H42N10O8 and a molecular weight of 610.67 g/mol. Its IUPAC name is 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID59409277
Molecular FormulaC25H42N10O8
Molecular Weight610.67 g/mol
Exact Mass610.32
IUPAC Name6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1nc(CCC2OCC3(CO2)COC(CCc2nc(NCOC)nc(NCOC)n2)OC3)nc(NCOC)n1
InChIInChI=1S/C25H42N10O8/c1-36-13-26-21-30-17(31-22(34-21)27-14-37-2)5-7-19-40-9-25(10-41-19)11-42-20(43-12-25)8-6-18-32-23(28-15-38-3)35-24(33-18)29-16-39-4/h19-20H,5-16H2,1-4H3,(H2,26,27,30,31,34)(H2,28,29,32,33,35)
InChIKeyYZQDJYDLHXBPSC-UHFFFAOYSA-N
XLogP0.42
TPSA199.30 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.67
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 59409277) is 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCNc1nc(CCC2OCC3(CO2)COC(CCc2nc(NCOC)nc(NCOC)n2)OC3)nc(NCOC)n1.
What is the InChIKey of 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YZQDJYDLHXBPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N10O8/c1-36-13-26-21-30-17(31-22(34-21)27-14-37-2)5-7-19-40-9-25(10-41-19)11-42-20(43-12-25)8-6-18-32-23(28-15-38-3)35-24(33-18)29-16-39-4/h19-20H,5-16H2,1-4H3,(H2,26,27,30,31,34)(H2,28,29,32,33,35).
What are the key properties of 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 610.67 g/mol, XLogP of 0.42, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[2-[4,6-bis(methoxymethylamino)-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59409277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).