4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

C17H20N6S — CID 133487136

IUPAC4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cnc(C)c(N2CCN(c3ncnc4sc(C)cc34)CC2)n1
InChIInChI=1S/C17H20N6S/c1-11-9-18-13(3)15(21-11)22-4-6-23(7-5-22)16-14-8-12(2)24-17(14)20-10-19-16/h8-10H,4-7H2,1-3H3
InChIKeyXVQMNFJCBYOPQJ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.73
Rot. Bonds2

About 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133487136) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133487136
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cnc(C)c(N2CCN(c3ncnc4sc(C)cc34)CC2)n1
InChIInChI=1S/C17H20N6S/c1-11-9-18-13(3)15(21-11)22-4-6-23(7-5-22)16-14-8-12(2)24-17(14)20-10-19-16/h8-10H,4-7H2,1-3H3
InChIKeyXVQMNFJCBYOPQJ-UHFFFAOYSA-N
XLogP2.73
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 133487136) is 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is Cc1cnc(C)c(N2CCN(c3ncnc4sc(C)cc34)CC2)n1.
What is the InChIKey of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is XVQMNFJCBYOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-11-9-18-13(3)15(21-11)22-4-6-23(7-5-22)16-14-8-12(2)24-17(14)20-10-19-16/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 340.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133487136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).