2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one

C16H15FN4OS — CID 146271715

IUPAC2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C16H15FN4OS/c1-2-23-16-20-14-13(18-7-8-19-14)15(22)21(16)9-6-11-4-3-5-12(17)10-11/h3-5,7-8,10H,2,6,9H2,1H3
InChIKeyNKLRSUBFINDSFD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.68
Rot. Bonds5

About 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one

2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one (PubChem CID 146271715) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
PubChem CID146271715
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C16H15FN4OS/c1-2-23-16-20-14-13(18-7-8-19-14)15(22)21(16)9-6-11-4-3-5-12(17)10-11/h3-5,7-8,10H,2,6,9H2,1H3
InChIKeyNKLRSUBFINDSFD-UHFFFAOYSA-N
XLogP2.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one
CID 22518637
2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
CID 146271693
3-(2,2-difluoro-2-phenylethyl)-2-ethylsulfanylpteridin-4-one
CID 146271699
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271731
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one
CID 22518504
N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
CID 22518383
2-[(3-methoxyphenyl)methylsulfanyl]-3-(3-methylbutyl)pteridin-4-one
CID 22518483
(2R)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460604
1-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-3-methyl-6-(2-phenylethyl)pyrazolo[4,5-d]pyrimidin-7-one
CID 53050310
2-[(3-methoxyphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one
CID 22518654
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methylsulfanyl]-3-(2-phenylethyl)pteridin-4-one
CID 146269053

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one?
The IUPAC name of 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one (CID 146271715) is 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one is CCSc1nc2nccnc2c(=O)n1CCc1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one?
The InChIKey is NKLRSUBFINDSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-2-23-16-20-14-13(18-7-8-19-14)15(22)21(16)9-6-11-4-3-5-12(17)10-11/h3-5,7-8,10H,2,6,9H2,1H3.
What are the key properties of 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one?
2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one has a molecular weight of 330.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one is sourced from PubChem (CID 146271715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).