3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

C20H22N2O2S2 — CID 25467275

IUPAC3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O
InChIInChI=1S/C20H22N2O2S2/c1-3-22-19(23)16-13(2)17(14-8-5-4-6-9-14)26-18(16)21-20(22)25-12-15-10-7-11-24-15/h4-6,8-9,15H,3,7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyGRSKLKSXEQLDIT-HNNXBMFYSA-N
MW386.54 g/mol
LogP4.72
Rot. Bonds5

About 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 25467275) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID25467275
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O
InChIInChI=1S/C20H22N2O2S2/c1-3-22-19(23)16-13(2)17(14-8-5-4-6-9-14)26-18(16)21-20(22)25-12-15-10-7-11-24-15/h4-6,8-9,15H,3,7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyGRSKLKSXEQLDIT-HNNXBMFYSA-N
XLogP4.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2529889
5,6-dimethyl-3-(2-methylpropyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 2659775
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2492009
3-ethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 31147486
3-ethyl-5,6-dimethyl-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 2064169
10-(oxan-2-ylmethylsulfanyl)-11-(oxolan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 42976716
2-benzylsulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3129010
3-ethyl-5,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 933824
3-(furan-2-ylmethyl)-2-(oxan-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3392108
N,N-dimethyl-2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8673103
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
(2R)-2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 30826271

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 25467275) is 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is CCn1c(SC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O.
What is the InChIKey of 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GRSKLKSXEQLDIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-3-22-19(23)16-13(2)17(14-8-5-4-6-9-14)26-18(16)21-20(22)25-12-15-10-7-11-24-15/h4-6,8-9,15H,3,7,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 386.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 25467275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).