1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one

C13H16N2OS — CID 55219170

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
SMILESCCCC(=O)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H16N2OS/c1-4-5-10(16)6-11-12-8(2)9(3)17-13(12)15-7-14-11/h7H,4-6H2,1-3H3
InChIKeyDDQDMORLJNSTLE-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.22
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one (PubChem CID 55219170) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
PubChem CID55219170
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
SMILESCCCC(=O)Cc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H16N2OS/c1-4-5-10(16)6-11-12-8(2)9(3)17-13(12)15-7-14-11/h7H,4-6H2,1-3H3
InChIKeyDDQDMORLJNSTLE-UHFFFAOYSA-N
XLogP3.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one (CID 55219170) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one is CCCC(=O)Cc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
The InChIKey is DDQDMORLJNSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-5-10(16)6-11-12-8(2)9(3)17-13(12)15-7-14-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one has a molecular weight of 248.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one is sourced from PubChem (CID 55219170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).