2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C17H20N6OS — CID 154735843

IUPAC2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc2c(N3CCN(C(=O)Cn4ccnc4C)CC3)ncnc2s1
InChIInChI=1S/C17H20N6OS/c1-12-9-14-16(19-11-20-17(14)25-12)22-7-5-21(6-8-22)15(24)10-23-4-3-18-13(23)2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPIUKNTKGQMQIBV-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 154735843) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID154735843
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc2c(N3CCN(C(=O)Cn4ccnc4C)CC3)ncnc2s1
InChIInChI=1S/C17H20N6OS/c1-12-9-14-16(19-11-20-17(14)25-12)22-7-5-21(6-8-22)15(24)10-23-4-3-18-13(23)2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPIUKNTKGQMQIBV-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 127682976
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 39072902

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 154735843) is 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1cc2c(N3CCN(C(=O)Cn4ccnc4C)CC3)ncnc2s1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is PIUKNTKGQMQIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-9-14-16(19-11-20-17(14)25-12)22-7-5-21(6-8-22)15(24)10-23-4-3-18-13(23)2/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 356.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154735843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).