2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol

C13H19N5O — CID 123577457

IUPAC2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1CC(O)C(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C13H19N5O/c1-15-6-8-4-10(11(19)5-8)18-3-2-9-12(14)16-7-17-13(9)18/h2-3,7-8,10-11,15,19H,4-6H2,1H3,(H2,14,16,17)
InChIKeyUUJAYOKFLLLCSG-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.54
Rot. Bonds3

About 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol (PubChem CID 123577457) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol
PubChem CID123577457
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1CC(O)C(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C13H19N5O/c1-15-6-8-4-10(11(19)5-8)18-3-2-9-12(14)16-7-17-13(9)18/h2-3,7-8,10-11,15,19H,4-6H2,1H3,(H2,14,16,17)
InChIKeyUUJAYOKFLLLCSG-UHFFFAOYSA-N
XLogP0.54
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,5-dimethylcyclopentane-1,2-diol
CID 175806544
(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]cyclopentane-1,2-diol
CID 129189796
(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[2-[2-(cyclopropylmethylamino)quinolin-7-yl]ethyl]cyclopentan-1-ol
CID 170295808
(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
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[2-[2-(cyclobutylamino)quinolin-7-yl]ethyl]cyclopentan-1-ol
CID 178088970
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
CID 166720086
(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol
CID 166720176
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol?
The IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol (CID 123577457) is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol is CNCC1CC(O)C(n2ccc3c(N)ncnc32)C1.
What is the InChIKey of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol?
The InChIKey is UUJAYOKFLLLCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-15-6-8-4-10(11(19)5-8)18-3-2-9-12(14)16-7-17-13(9)18/h2-3,7-8,10-11,15,19H,4-6H2,1H3,(H2,14,16,17).
What are the key properties of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol?
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 123577457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).