2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

C14H15N3OS — CID 66744243

IUPAC2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C14H15N3OS/c1-3-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17-14/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyGLHLUQHSURPDFN-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds2

About 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 66744243) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID66744243
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C14H15N3OS/c1-3-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17-14/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyGLHLUQHSURPDFN-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (CID 66744243) is 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is CCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1.
What is the InChIKey of 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is GLHLUQHSURPDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17-14/h4-8,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66744243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).