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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 177186493
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
2,8-dichloro-9-cyclopentylpurine
CID 54445306
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 170994601
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 178155447
(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one
CID 163638172
4-chloro-13-phenyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 123527555
6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
CID 172599841
4-chloro-11-methyl-13-propan-2-yl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 123320954
8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11151391

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).