2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine

C15H14ClN3S — CID 122372645

IUPAC2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2cc(-c3ccsc3)n(C3CCCC3)c2n1
InChIInChI=1S/C15H14ClN3S/c16-15-17-8-11-7-13(10-5-6-20-9-10)19(14(11)18-15)12-3-1-2-4-12/h5-9,12H,1-4H2
InChIKeyUOEUVHDPJJXUSU-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.93
Rot. Bonds2

About 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine

2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 122372645) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine
PubChem CID122372645
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2cc(-c3ccsc3)n(C3CCCC3)c2n1
InChIInChI=1S/C15H14ClN3S/c16-15-17-8-11-7-13(10-5-6-20-9-10)19(14(11)18-15)12-3-1-2-4-12/h5-9,12H,1-4H2
InChIKeyUOEUVHDPJJXUSU-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine (CID 122372645) is 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine is Clc1ncc2cc(-c3ccsc3)n(C3CCCC3)c2n1.
What is the InChIKey of 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is UOEUVHDPJJXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-15-17-8-11-7-13(10-5-6-20-9-10)19(14(11)18-15)12-3-1-2-4-12/h5-9,12H,1-4H2.
What are the key properties of 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine?
2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 303.82 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 122372645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).