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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Related Compounds

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719
5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 59232490
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 171335728
2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133487045
5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
CID 136547764
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine
CID 985285
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine
CID 2241129
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 16553198
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282072
5-methyl-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 128732364
7-(4-bromophenyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4258683

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).