7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C20H30N6O — CID 145365103

IUPAC7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2C1CCC(CN2CCCC3(CCCCN3)C2)O1
InChIInChI=1S/C20H30N6O/c21-18-16-6-11-26(19(16)23-14-22-18)17-5-4-15(27-17)12-25-10-3-8-20(13-25)7-1-2-9-24-20/h6,11,14-15,17,24H,1-5,7-10,12-13H2,(H2,21,22,23)
InChIKeyBEYLRAXEAMIAKJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.30
Rot. Bonds3

About 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 145365103) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID145365103
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2C1CCC(CN2CCCC3(CCCCN3)C2)O1
InChIInChI=1S/C20H30N6O/c21-18-16-6-11-26(19(16)23-14-22-18)17-5-4-15(27-17)12-25-10-3-8-20(13-25)7-1-2-9-24-20/h6,11,14-15,17,24H,1-5,7-10,12-13H2,(H2,21,22,23)
InChIKeyBEYLRAXEAMIAKJ-UHFFFAOYSA-N
XLogP2.30
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
9-[5-(2,5-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365104
7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 130419247
9-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145365063
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
tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate
CID 156542870
9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 130418956
9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122265
tert-butyl 9-[[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 156542770
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166776309

Frequently Asked Questions

What is the IUPAC name of 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 145365103) is 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2C1CCC(CN2CCCC3(CCCCN3)C2)O1.
What is the InChIKey of 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BEYLRAXEAMIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c21-18-16-6-11-26(19(16)23-14-22-18)17-5-4-15(27-17)12-25-10-3-8-20(13-25)7-1-2-9-24-20/h6,11,14-15,17,24H,1-5,7-10,12-13H2,(H2,21,22,23).
What are the key properties of 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.50 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145365103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).