4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine

C10H14N4S — CID 86686511

IUPAC4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESc1nc2c(c(N3CCNCC3)n1)SCC2
InChIInChI=1S/C10H14N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h7,11H,1-6H2
InChIKeyUKKOTBDJCKNZJQ-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.53
Rot. Bonds1

About 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine

4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 86686511) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID86686511
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESc1nc2c(c(N3CCNCC3)n1)SCC2
InChIInChI=1S/C10H14N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h7,11H,1-6H2
InChIKeyUKKOTBDJCKNZJQ-UHFFFAOYSA-N
XLogP0.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine (CID 86686511) is 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine is c1nc2c(c(N3CCNCC3)n1)SCC2.
What is the InChIKey of 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is UKKOTBDJCKNZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h7,11H,1-6H2.
What are the key properties of 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 222.32 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 86686511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).