4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine

C24H37N5O8 — CID 56600284

IUPAC4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1nc(NCC3CCCO3)nc(N3CCOCC3)n1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C24H37N5O8/c1-23(2)34-16-15(33-19-18(17(16)35-23)36-24(3,4)37-19)13-32-22-27-20(25-12-14-6-5-9-31-14)26-21(28-22)29-7-10-30-11-8-29/h14-19H,5-13H2,1-4H3,(H,25,26,27,28)/t14?,15-,16+,17+,18-,19-/m1/s1
InChIKeyHPLSKCLHIVTLJL-OKQJSRGQSA-N
MW523.59 g/mol
LogP1.07
Rot. Bonds7

About 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine (PubChem CID 56600284) has the molecular formula C24H37N5O8 and a molecular weight of 523.59 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine
PubChem CID56600284
Molecular FormulaC24H37N5O8
Molecular Weight523.59 g/mol
Exact Mass523.26
IUPAC Name4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1nc(NCC3CCCO3)nc(N3CCOCC3)n1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C24H37N5O8/c1-23(2)34-16-15(33-19-18(17(16)35-23)36-24(3,4)37-19)13-32-22-27-20(25-12-14-6-5-9-31-14)26-21(28-22)29-7-10-30-11-8-29/h14-19H,5-13H2,1-4H3,(H,25,26,27,28)/t14?,15-,16+,17+,18-,19-/m1/s1
InChIKeyHPLSKCLHIVTLJL-OKQJSRGQSA-N
XLogP1.07
TPSA127.78 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazine-2,4-diamine
CID 56601660
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774497
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 27101337

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine (CID 56600284) is 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine is CC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1nc(NCC3CCCO3)nc(N3CCOCC3)n1)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine?
The InChIKey is HPLSKCLHIVTLJL-OKQJSRGQSA-N. The full InChI is InChI=1S/C24H37N5O8/c1-23(2)34-16-15(33-19-18(17(16)35-23)36-24(3,4)37-19)13-32-22-27-20(25-12-14-6-5-9-31-14)26-21(28-22)29-7-10-30-11-8-29/h14-19H,5-13H2,1-4H3,(H,25,26,27,28)/t14?,15-,16+,17+,18-,19-/m1/s1.
What are the key properties of 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine has a molecular weight of 523.59 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 56600284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).