2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol

C18H31N5O4 — CID 20822509

IUPAC2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
SMILESCOCN(CCO)c1nc(C2CC3CCC2C3)nc(N(COC)COC)n1
InChIInChI=1S/C18H31N5O4/c1-25-10-22(6-7-24)17-19-16(15-9-13-4-5-14(15)8-13)20-18(21-17)23(11-26-2)12-27-3/h13-15,24H,4-12H2,1-3H3
InChIKeyRZLZJCZJSSVGHG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.19
Rot. Bonds11

About 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol

2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol (PubChem CID 20822509) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
PubChem CID20822509
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC Name2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
SMILESCOCN(CCO)c1nc(C2CC3CCC2C3)nc(N(COC)COC)n1
InChIInChI=1S/C18H31N5O4/c1-25-10-22(6-7-24)17-19-16(15-9-13-4-5-14(15)8-13)20-18(21-17)23(11-26-2)12-27-3/h13-15,24H,4-12H2,1-3H3
InChIKeyRZLZJCZJSSVGHG-UHFFFAOYSA-N
XLogP1.19
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol 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 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The IUPAC name of 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol (CID 20822509) is 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol is COCN(CCO)c1nc(C2CC3CCC2C3)nc(N(COC)COC)n1.
What is the InChIKey of 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The InChIKey is RZLZJCZJSSVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-25-10-22(6-7-24)17-19-16(15-9-13-4-5-14(15)8-13)20-18(21-17)23(11-26-2)12-27-3/h13-15,24H,4-12H2,1-3H3.
What are the key properties of 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol has a molecular weight of 381.48 g/mol, XLogP of 1.19, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol is sourced from PubChem (CID 20822509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).