6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C17H18N8S — CID 133409059

IUPAC6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc(N2CCN(c3ncnc4sc(C)cc34)CC2)n2ncnc2n1
InChIInChI=1S/C17H18N8S/c1-11-7-14(25-17(22-11)20-10-21-25)23-3-5-24(6-4-23)15-13-8-12(2)26-16(13)19-9-18-15/h7-10H,3-6H2,1-2H3
InChIKeyPXORPAACSBGVPZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.07
Rot. Bonds2

About 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133409059) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133409059
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc(N2CCN(c3ncnc4sc(C)cc34)CC2)n2ncnc2n1
InChIInChI=1S/C17H18N8S/c1-11-7-14(25-17(22-11)20-10-21-25)23-3-5-24(6-4-23)15-13-8-12(2)26-16(13)19-9-18-15/h7-10H,3-6H2,1-2H3
InChIKeyPXORPAACSBGVPZ-UHFFFAOYSA-N
XLogP2.07
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163345037
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344393
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407641
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133409059) is 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1cc(N2CCN(c3ncnc4sc(C)cc34)CC2)n2ncnc2n1.
What is the InChIKey of 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is PXORPAACSBGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-11-7-14(25-17(22-11)20-10-21-25)23-3-5-24(6-4-23)15-13-8-12(2)26-16(13)19-9-18-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 366.45 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133409059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).