3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane

C16H26N4O — CID 142602525

IUPAC3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane
SMILESCC.CC(CCC1CC(O)C1)n1ccc2c(N)ncnc21
InChIInChI=1S/C14H20N4O.C2H6/c1-9(2-3-10-6-11(19)7-10)18-5-4-12-13(15)16-8-17-14(12)18;1-2/h4-5,8-11,19H,2-3,6-7H2,1H3,(H2,15,16,17);1-2H3
InChIKeyGOGYXCXQQZICMU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.15
Rot. Bonds4

About 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane

3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane (PubChem CID 142602525) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane.

Molecular Properties

Compound Name3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane
PubChem CID142602525
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane
SMILESCC.CC(CCC1CC(O)C1)n1ccc2c(N)ncnc21
InChIInChI=1S/C14H20N4O.C2H6/c1-9(2-3-10-6-11(19)7-10)18-5-4-12-13(15)16-8-17-14(12)18;1-2/h4-5,8-11,19H,2-3,6-7H2,1H3,(H2,15,16,17);1-2H3
InChIKeyGOGYXCXQQZICMU-UHFFFAOYSA-N
XLogP3.15
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methoxypropan-2-ol;7-[4-(3-methylcyclobutyl)butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142602577
7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142602568
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol
CID 123577457
(1R,2S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1-[1-methyl-3-(pyridin-3-ylmethyl)cyclobutyl]butane-1,2-diol
CID 167191405
(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]cyclopentane-1,2-diol
CID 129189796
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,5-dimethylcyclopentane-1,2-diol
CID 175806544
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 144983828
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
CID 166720086
(1R,2R,4S)-4-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 170402952

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane?
The IUPAC name of 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane (CID 142602525) is 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane.
What is the SMILES notation for 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane?
The canonical SMILES for 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane is CC.CC(CCC1CC(O)C1)n1ccc2c(N)ncnc21.
What is the InChIKey of 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane?
The InChIKey is GOGYXCXQQZICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.C2H6/c1-9(2-3-10-6-11(19)7-10)18-5-4-12-13(15)16-8-17-14(12)18;1-2/h4-5,8-11,19H,2-3,6-7H2,1H3,(H2,15,16,17);1-2H3.
What are the key properties of 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane?
3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane has a molecular weight of 290.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane is sourced from PubChem (CID 142602525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).