4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C13H15N3O2 — CID 82375478

IUPAC4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(C3CCCC3)ncnc21
InChIInChI=1S/C13H15N3O2/c1-16-10(13(17)18)6-9-11(8-4-2-3-5-8)14-7-15-12(9)16/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyGLUZBHRNIUCHRN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds2

About 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82375478) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82375478
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(C3CCCC3)ncnc21
InChIInChI=1S/C13H15N3O2/c1-16-10(13(17)18)6-9-11(8-4-2-3-5-8)14-7-15-12(9)16/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyGLUZBHRNIUCHRN-UHFFFAOYSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375479
2-cyclopentyl-3-methylimidazole-4-carboxylic acid
CID 82375323
(3-aminopyrrolidin-1-yl)-(4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 71051258
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 167848660
4-cyclobutyl-1-methylpyrrole-2-carboxylic acid
CID 84656953
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
7-(2-hydroxyethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 84818437
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 82375478) is 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Cn1c(C(=O)O)cc2c(C3CCCC3)ncnc21.
What is the InChIKey of 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is GLUZBHRNIUCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-10(13(17)18)6-9-11(8-4-2-3-5-8)14-7-15-12(9)16/h6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82375478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).