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

C10H12N4S — CID 16768198

IUPAC4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2ccsc2n1
InChIInChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKeyHFGUINASBGDWLY-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.10
Rot. Bonds1

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

4-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 16768198) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID16768198
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2ccsc2n1
InChIInChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKeyHFGUINASBGDWLY-UHFFFAOYSA-N
XLogP1.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 16768198) is 4-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-ylthieno[2,3-d]pyrimidine is c1nc(N2CCNCC2)c2ccsc2n1.
What is the InChIKey of 4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is HFGUINASBGDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2.
What are the key properties of 4-piperazin-1-ylthieno[2,3-d]pyrimidine?
4-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 220.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 16768198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).