6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine

C19H22N4S — CID 28848023

IUPAC6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1
InChIInChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyRZYOJUHZPMOBOR-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.64
Rot. Bonds3

About 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine

6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 28848023) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID28848023
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1
InChIInChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyRZYOJUHZPMOBOR-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 28848023) is 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine is CCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is RZYOJUHZPMOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3.
What are the key properties of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 28848023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).