7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C21H29F3N6O — CID 130419247

IUPAC7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2C1CCC(CN2CCCC2(CN2CCCC2)C(F)(F)F)O1
InChIInChI=1S/C21H29F3N6O/c22-21(23,24)20(13-28-8-1-2-9-28)7-3-10-29(20)12-15-4-5-17(31-15)30-11-6-16-18(25)26-14-27-19(16)30/h6,11,14-15,17H,1-5,7-10,12-13H2,(H2,25,26,27)
InChIKeyUJGATLCFDGFOFT-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.18
Rot. Bonds5

About 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 130419247) has the molecular formula C21H29F3N6O and a molecular weight of 438.50 g/mol. Its IUPAC name is 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID130419247
Molecular FormulaC21H29F3N6O
Molecular Weight438.50 g/mol
Exact Mass438.24
IUPAC Name7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2C1CCC(CN2CCCC2(CN2CCCC2)C(F)(F)F)O1
InChIInChI=1S/C21H29F3N6O/c22-21(23,24)20(13-28-8-1-2-9-28)7-3-10-29(20)12-15-4-5-17(31-15)30-11-6-16-18(25)26-14-27-19(16)30/h6,11,14-15,17H,1-5,7-10,12-13H2,(H2,25,26,27)
InChIKeyUJGATLCFDGFOFT-UHFFFAOYSA-N
XLogP3.18
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

ethanamine;7-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365041
7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365015
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365103
tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate
CID 156542870
1-[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 145183384
1-tert-butyl-8-[[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]-1,8-diazaspiro[5.5]undecane
CID 156542669
7-[5-[[5-(trifluoromethyl)quinolin-7-yl]oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 170081693
7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166776309
7-[(2R,5S)-5-(quinolin-6-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166776326
9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 130419247) is 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2C1CCC(CN2CCCC2(CN2CCCC2)C(F)(F)F)O1.
What is the InChIKey of 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UJGATLCFDGFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N6O/c22-21(23,24)20(13-28-8-1-2-9-28)7-3-10-29(20)12-15-4-5-17(31-15)30-11-6-16-18(25)26-14-27-19(16)30/h6,11,14-15,17H,1-5,7-10,12-13H2,(H2,25,26,27).
What are the key properties of 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 438.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 130419247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).