4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine

C10H11ClN4S — CID 46228434

IUPAC4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCNCC2)nc2sccc12
InChIInChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
InChIKeyLAUTXGRASJJCRO-UHFFFAOYSA-N
MW254.75 g/mol
LogP1.75
Rot. Bonds1

About 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine

4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 46228434) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID46228434
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCNCC2)nc2sccc12
InChIInChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
InChIKeyLAUTXGRASJJCRO-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 46228434) is 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine is Clc1nc(N2CCNCC2)nc2sccc12.
What is the InChIKey of 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is LAUTXGRASJJCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2.
What are the key properties of 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 254.75 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 46228434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).