2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid

C12H10N4O3 — CID 156877075

IUPAC2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
SMILESNc1ncnc2c1c(-c1ccoc1)cn2CC(=O)O
InChIInChI=1S/C12H10N4O3/c13-11-10-8(7-1-2-19-5-7)3-16(4-9(17)18)12(10)15-6-14-11/h1-3,5-6H,4H2,(H,17,18)(H2,13,14,15)
InChIKeyALUMZWFEJNRSAS-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid

2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid (PubChem CID 156877075) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
PubChem CID156877075
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
SMILESNc1ncnc2c1c(-c1ccoc1)cn2CC(=O)O
InChIInChI=1S/C12H10N4O3/c13-11-10-8(7-1-2-19-5-7)3-16(4-9(17)18)12(10)15-6-14-11/h1-3,5-6H,4H2,(H,17,18)(H2,13,14,15)
InChIKeyALUMZWFEJNRSAS-UHFFFAOYSA-N
XLogP1.36
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
CID 156877045
(2R,4R)-1-[2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 166772343
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
2-[4-chloro-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 87609031
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide
CID 22736196
[[5-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 75292986
1-[4-amino-5-(4-amino-3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-2-ol
CID 162365122
2-(4-amino-6-phenylpyrimido[4,5-b]indol-9-yl)acetic acid
CID 156876796
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 57230556
[4-[2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]piperazin-1-yl] tert-butyl carbonate
CID 57165586
2-(5-bromo-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
CID 68877949

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid?
The IUPAC name of 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid (CID 156877075) is 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid.
What is the SMILES notation for 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid?
The canonical SMILES for 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid is Nc1ncnc2c1c(-c1ccoc1)cn2CC(=O)O.
What is the InChIKey of 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid?
The InChIKey is ALUMZWFEJNRSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-11-10-8(7-1-2-19-5-7)3-16(4-9(17)18)12(10)15-6-14-11/h1-3,5-6H,4H2,(H,17,18)(H2,13,14,15).
What are the key properties of 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid?
2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid has a molecular weight of 258.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid is sourced from PubChem (CID 156877075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).