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

C13H16N2OS — CID 55248192

IUPAC3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one
SMILESCc1cc2c(CC(=O)C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H16N2OS/c1-8-5-9-10(6-11(16)13(2,3)4)14-7-15-12(9)17-8/h5,7H,6H2,1-4H3
InChIKeyVMINCMDIRVSWFA-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.16
Rot. Bonds2

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

3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one (PubChem CID 55248192) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one
PubChem CID55248192
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one
SMILESCc1cc2c(CC(=O)C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H16N2OS/c1-8-5-9-10(6-11(16)13(2,3)4)14-7-15-12(9)17-8/h5,7H,6H2,1-4H3
InChIKeyVMINCMDIRVSWFA-UHFFFAOYSA-N
XLogP3.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 79269626
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
1-(5-bromopyrimidin-4-yl)-3,3-dimethylbutan-2-one
CID 66320015
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
CID 63198829
3,3,3-trifluoro-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 79798801
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39162372
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 63617897

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one (CID 55248192) is 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one is Cc1cc2c(CC(=O)C(C)(C)C)ncnc2s1.
What is the InChIKey of 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one?
The InChIKey is VMINCMDIRVSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-5-9-10(6-11(16)13(2,3)4)14-7-15-12(9)17-8/h5,7H,6H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one?
3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one has a molecular weight of 248.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one is sourced from PubChem (CID 55248192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).