1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one

C13H16N2OS — CID 63198829

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
SMILESCCCC(=O)Cc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H16N2OS/c1-3-5-9(16)6-12-11-7-10(4-2)17-13(11)15-8-14-12/h7-8H,3-6H2,1-2H3
InChIKeyBOCHXVHWDIXAHL-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.17
Rot. Bonds5

About 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one (PubChem CID 63198829) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
PubChem CID63198829
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
SMILESCCCC(=O)Cc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H16N2OS/c1-3-5-9(16)6-12-11-7-10(4-2)17-13(11)15-8-14-12/h7-8H,3-6H2,1-2H3
InChIKeyBOCHXVHWDIXAHL-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
CID 55219170
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
CID 63196590
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 63198232
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
3,3-dimethyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)butan-2-one
CID 55248192
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one (CID 63198829) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one is CCCC(=O)Cc1ncnc2sc(CC)cc12.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The InChIKey is BOCHXVHWDIXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-5-9(16)6-12-11-7-10(4-2)17-13(11)15-8-14-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one has a molecular weight of 248.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one is sourced from PubChem (CID 63198829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).