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

C15H20N4OS — CID 39072808

IUPAC1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C15H20N4OS/c1-3-4-13(20)18-5-7-19(8-6-18)14-12-9-11(2)21-15(12)17-10-16-14/h9-10H,3-8H2,1-2H3
InChIKeyPYVNZKUEHLCDMD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.45
Rot. Bonds3

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

1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one (PubChem CID 39072808) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
PubChem CID39072808
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C15H20N4OS/c1-3-4-13(20)18-5-7-19(8-6-18)14-12-9-11(2)21-15(12)17-10-16-14/h9-10H,3-8H2,1-2H3
InChIKeyPYVNZKUEHLCDMD-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154735843
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 127682976
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
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
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one (CID 39072808) is 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1.
What is the InChIKey of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one?
The InChIKey is PYVNZKUEHLCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-4-13(20)18-5-7-19(8-6-18)14-12-9-11(2)21-15(12)17-10-16-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one?
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one has a molecular weight of 304.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 39072808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).