7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C13H16N4O3 — CID 84818437

IUPAC7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCCC3)ncnc2n1CCO
InChIInChI=1S/C13H16N4O3/c18-6-5-17-10(13(19)20)7-9-11(14-8-15-12(9)17)16-3-1-2-4-16/h7-8,18H,1-6H2,(H,19,20)
InChIKeyMNQFDYFOMFIBGA-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.72
Rot. Bonds4

About 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 84818437) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID84818437
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCCC3)ncnc2n1CCO
InChIInChI=1S/C13H16N4O3/c18-6-5-17-10(13(19)20)7-9-11(14-8-15-12(9)17)16-3-1-2-4-16/h7-8,18H,1-6H2,(H,19,20)
InChIKeyMNQFDYFOMFIBGA-UHFFFAOYSA-N
XLogP0.72
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 84818438
8-(2-methoxyethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 121016478
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 86774053
(3S)-1-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 95137868
2-(5-bromo-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
CID 68877949
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
4-(azepan-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 53213452
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196299

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 84818437) is 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(N3CCCC3)ncnc2n1CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is MNQFDYFOMFIBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-6-5-17-10(13(19)20)7-9-11(14-8-15-12(9)17)16-3-1-2-4-16/h7-8,18H,1-6H2,(H,19,20).
What are the key properties of 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84818437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).