2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one

C16H16N4OS — CID 146271710

IUPAC2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C16H16N4OS/c1-2-22-16-19-14-13(17-9-10-18-14)15(21)20(16)11-8-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3
InChIKeyQLEQVVQFYHVNTC-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.54
Rot. Bonds5

About 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one

2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one (PubChem CID 146271710) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
PubChem CID146271710
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESCCSc1nc2nccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C16H16N4OS/c1-2-22-16-19-14-13(17-9-10-18-14)15(21)20(16)11-8-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3
InChIKeyQLEQVVQFYHVNTC-UHFFFAOYSA-N
XLogP2.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
CID 146271715
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
N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
CID 22518383
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methylsulfanyl]-3-(2-phenylethyl)pteridin-4-one
CID 146269053
(2R)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460604
(2R)-N-(4-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460602
2-[2-methyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167639215
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167606799
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one
CID 22518504
3-(2-phenylethyl)-1H-pteridine-2,4-dione
CID 27558241

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one?
The IUPAC name of 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one (CID 146271710) is 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one is CCSc1nc2nccnc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one?
The InChIKey is QLEQVVQFYHVNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-22-16-19-14-13(17-9-10-18-14)15(21)20(16)11-8-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3.
What are the key properties of 2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one?
2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one has a molecular weight of 312.40 g/mol, XLogP of 2.54, 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-phenylethyl)pteridin-4-one is sourced from PubChem (CID 146271710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).