2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

C15H18ClN3S — CID 103321337

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCCC2C2CCCC2)c2ccsc2n1
InChIInChI=1S/C15H18ClN3S/c16-15-17-13(11-7-9-20-14(11)18-15)19-8-3-6-12(19)10-4-1-2-5-10/h7,9-10,12H,1-6,8H2
InChIKeyRANSIYGRPPBSCE-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 103321337) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID103321337
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCCC2C2CCCC2)c2ccsc2n1
InChIInChI=1S/C15H18ClN3S/c16-15-17-13(11-7-9-20-14(11)18-15)19-8-3-6-12(19)10-4-1-2-5-10/h7,9-10,12H,1-6,8H2
InChIKeyRANSIYGRPPBSCE-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine
CID 114043625
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 103321558
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
1-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 79072823
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-chloropyrimidin-5-amine
CID 114043867
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (CID 103321337) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is Clc1nc(N2CCCC2C2CCCC2)c2ccsc2n1.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is RANSIYGRPPBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c16-15-17-13(11-7-9-20-14(11)18-15)19-8-3-6-12(19)10-4-1-2-5-10/h7,9-10,12H,1-6,8H2.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 307.85 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103321337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).