4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine

C11H13ClN2S — CID 59686294

IUPAC4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCCC2)nc2c1CSC2
InChIInChI=1S/C11H13ClN2S/c12-10-8-5-15-6-9(8)13-11(14-10)7-3-1-2-4-7/h7H,1-6H2
InChIKeyQVKPKJLSOPRKER-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.53
Rot. Bonds1

About 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 59686294) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID59686294
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCCC2)nc2c1CSC2
InChIInChI=1S/C11H13ClN2S/c12-10-8-5-15-6-9(8)13-11(14-10)7-3-1-2-4-7/h7H,1-6H2
InChIKeyQVKPKJLSOPRKER-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 59686294) is 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(C2CCCC2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is QVKPKJLSOPRKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c12-10-8-5-15-6-9(8)13-11(14-10)7-3-1-2-4-7/h7H,1-6H2.
What are the key properties of 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 240.76 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 59686294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).