7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C20H30N6O — CID 145365015

IUPAC7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2[C@H]1CC[C@@H](CN2CCCCC23CCNCC3)O1
InChIInChI=1S/C20H30N6O/c21-18-16-5-12-26(19(16)24-14-23-18)17-4-3-15(27-17)13-25-11-2-1-6-20(25)7-9-22-10-8-20/h5,12,14-15,17,22H,1-4,6-11,13H2,(H2,21,23,24)/t15-,17+/m0/s1
InChIKeyHGSXJRBVOBDXLC-DOTOQJQBSA-N
MW370.50 g/mol
LogP2.30
Rot. Bonds3

About 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 145365015) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID145365015
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2[C@H]1CC[C@@H](CN2CCCCC23CCNCC3)O1
InChIInChI=1S/C20H30N6O/c21-18-16-5-12-26(19(16)24-14-23-18)17-4-3-15(27-17)13-25-11-2-1-6-20(25)7-9-22-10-8-20/h5,12,14-15,17,22H,1-4,6-11,13H2,(H2,21,23,24)/t15-,17+/m0/s1
InChIKeyHGSXJRBVOBDXLC-DOTOQJQBSA-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

Analyze 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 130419247
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365103
ethanamine;7-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365041
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 178089000
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolane-3,4-diol
CID 130418785
2-methyl-N-[7-[5-[(8-methyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]propanamide;bis(2-methylpropanoic acid)
CID 145364954
6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane
CID 167460755
(1R,2S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(8-methyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]cyclopentane-1,2-diol
CID 155769060
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
9-[5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 130418956

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 145365015) is 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2[C@H]1CC[C@@H](CN2CCCCC23CCNCC3)O1.
What is the InChIKey of 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HGSXJRBVOBDXLC-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H30N6O/c21-18-16-5-12-26(19(16)24-14-23-18)17-4-3-15(27-17)13-25-11-2-1-6-20(25)7-9-22-10-8-20/h5,12,14-15,17,22H,1-4,6-11,13H2,(H2,21,23,24)/t15-,17+/m0/s1.
What are the key properties of 7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-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-[(2R,5S)-5-(1,9-diazaspiro[5.5]undecan-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145365015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).