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

C19H22N4S — CID 140546700

IUPAC4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
SMILESCc1ccc(C)c(N2CCN(c3ncnc4scc(C)c34)CC2)c1
InChIInChI=1S/C19H22N4S/c1-13-4-5-14(2)16(10-13)22-6-8-23(9-7-22)18-17-15(3)11-24-19(17)21-12-20-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPBEMQVHLUONLAG-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.94
Rot. Bonds2

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

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine (PubChem CID 140546700) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
PubChem CID140546700
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
SMILESCc1ccc(C)c(N2CCN(c3ncnc4scc(C)c34)CC2)c1
InChIInChI=1S/C19H22N4S/c1-13-4-5-14(2)16(10-13)22-6-8-23(9-7-22)18-17-15(3)11-24-19(17)21-12-20-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPBEMQVHLUONLAG-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.94
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]-5-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine (CID 140546700) is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine is Cc1ccc(C)c(N2CCN(c3ncnc4scc(C)c34)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
The InChIKey is PBEMQVHLUONLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13-4-5-14(2)16(10-13)22-6-8-23(9-7-22)18-17-15(3)11-24-19(17)21-12-20-18/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine?
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.94, 2 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]-5-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 140546700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).