2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one

C14H17N3O2S — CID 75454433

IUPAC2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one
SMILESCCOc1cccc(CSc2nc(=O)ccn2CC)n1
InChIInChI=1S/C14H17N3O2S/c1-3-17-9-8-12(18)16-14(17)20-10-11-6-5-7-13(15-11)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyHGURBJRBMOLWPR-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.35
Rot. Bonds6

About 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one

2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one (PubChem CID 75454433) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one
PubChem CID75454433
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one
SMILESCCOc1cccc(CSc2nc(=O)ccn2CC)n1
InChIInChI=1S/C14H17N3O2S/c1-3-17-9-8-12(18)16-14(17)20-10-11-6-5-7-13(15-11)19-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyHGURBJRBMOLWPR-UHFFFAOYSA-N
XLogP2.35
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-Ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one
CID 91660393
6-[3-Ethylsulfanyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(2,2,3,4,4,4-hexafluorobutyl)pyrimidin-4-one
CID 145055293
1-[(6-Ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one
CID 100678682
5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one
CID 21292037
5-Iodo-3-[(6-methoxy-2-pyridinyl)methyl]pyrimidin-4-one
CID 66308851
5-Iodo-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66342481
7-[(5-Methyl-2-pyridinyl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 72040617
2-(Cyclopentylthio)-1-(4-((6-methylpyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 72717356
3-[(6-Ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 75484558
2-Methoxy-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 79375445
2-[1-(6-Ethoxy-3-pyridinyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 80333975
3-[(6-Ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 86788162

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one?
The IUPAC name of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one (CID 75454433) is 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one.
What is the SMILES notation for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one?
The canonical SMILES for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one is CCOc1cccc(CSc2nc(=O)ccn2CC)n1.
What is the InChIKey of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one?
The InChIKey is HGURBJRBMOLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17-9-8-12(18)16-14(17)20-10-11-6-5-7-13(15-11)19-4-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one?
2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-1-ethylpyrimidin-4-one is sourced from PubChem (CID 75454433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).