2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid

C8H8N4O2 — CID 22271838

IUPAC2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
SMILESNc1ncnc2c1ccn2CC(=O)O
InChIInChI=1S/C8H8N4O2/c9-7-5-1-2-12(3-6(13)14)8(5)11-4-10-7/h1-2,4H,3H2,(H,13,14)(H2,9,10,11)
InChIKeyUZYRINOPDURTIF-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.10
Rot. Bonds2

About 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid (PubChem CID 22271838) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
PubChem CID22271838
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
SMILESNc1ncnc2c1ccn2CC(=O)O
InChIInChI=1S/C8H8N4O2/c9-7-5-1-2-12(3-6(13)14)8(5)11-4-10-7/h1-2,4H,3H2,(H,13,14)(H2,9,10,11)
InChIKeyUZYRINOPDURTIF-UHFFFAOYSA-N
XLogP0.10
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
CID 334340
SARS-CoV-2 nsp3-IN-2
CID 122059464
2-[[4-(Dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethanol
CID 334347
[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol
CID 511856
2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid
CID 76849422
7H-Pyrrolo(2,3-d)pyrimidine-2-carboxylic acid
CID 18940665
methyl 7H-pyrrolo(2,3-d)pyrimidine-2-carboxylate
CID 72207574
tert-butyl 2-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetate
CID 87610013
tert-butyl 2-{2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetate
CID 118053065
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
CID 395243

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid?
The IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid (CID 22271838) is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid.
What is the SMILES notation for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid?
The canonical SMILES for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid is Nc1ncnc2c1ccn2CC(=O)O.
What is the InChIKey of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid?
The InChIKey is UZYRINOPDURTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-7-5-1-2-12(3-6(13)14)8(5)11-4-10-7/h1-2,4H,3H2,(H,13,14)(H2,9,10,11).
What are the key properties of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid?
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid has a molecular weight of 192.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)acetic acid is sourced from PubChem (CID 22271838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).