4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine

C20H24N4S — CID 46362719

IUPAC4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4cc(C)ccc4C)CC3)ncnc2s1
InChIInChI=1S/C20H24N4S/c1-4-16-12-17-19(21-13-22-20(17)25-16)24-9-7-23(8-10-24)18-11-14(2)5-6-15(18)3/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyIZMURIWLQGYPHT-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.20
Rot. Bonds3

About 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 46362719) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
PubChem CID46362719
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4cc(C)ccc4C)CC3)ncnc2s1
InChIInChI=1S/C20H24N4S/c1-4-16-12-17-19(21-13-22-20(17)25-16)24-9-7-23(8-10-24)18-11-14(2)5-6-15(18)3/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyIZMURIWLQGYPHT-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine (CID 46362719) is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4cc(C)ccc4C)CC3)ncnc2s1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is IZMURIWLQGYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-4-16-12-17-19(21-13-22-20(17)25-16)24-9-7-23(8-10-24)18-11-14(2)5-6-15(18)3/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine?
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 352.51 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 46362719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).