2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C11H14N2OS — CID 57164201

IUPAC2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2sc(CC)c(C)c2c(=O)[nH]1
InChIInChI=1S/C11H14N2OS/c1-4-7-6(3)9-10(14)12-8(5-2)13-11(9)15-7/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyKIYUOFISDXVTCG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.42
Rot. Bonds2

About 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 57164201) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID57164201
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2sc(CC)c(C)c2c(=O)[nH]1
InChIInChI=1S/C11H14N2OS/c1-4-7-6(3)9-10(14)12-8(5-2)13-11(9)15-7/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyKIYUOFISDXVTCG-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hexyl-2-(hydroxymethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 13121562
6-ethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23330414
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
3,6-diethyl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 137270080
3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 137274403
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
5,6-dimethyl-2-[(3-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 103864801
2-phenoxyethyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868337
2-ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-4-thione
CID 18524351
ethyl 5-methyl-4-oxo-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2160992
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
2-[(4-chlorophenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890246

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 57164201) is 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1nc2sc(CC)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KIYUOFISDXVTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-7-6(3)9-10(14)12-8(5-2)13-11(9)15-7/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 57164201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).