2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one

C17H17N3OS — CID 146271693

IUPAC2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2cccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-22-17-19-14-9-6-11-18-15(14)16(21)20(17)12-10-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3
InChIKeyXXTVDQNBKBSROE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.15
Rot. Bonds5

About 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one

2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 146271693) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID146271693
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2cccnc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-22-17-19-14-9-6-11-18-15(14)16(21)20(17)12-10-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3
InChIKeyXXTVDQNBKBSROE-UHFFFAOYSA-N
XLogP3.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
CID 146271715
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271731
2-ethylsulfanyl-3-(4-phenylbutan-2-yl)quinazolin-4-one
CID 175652030
3-(2,2-difluoro-2-phenylethyl)-2-ethylsulfanylpteridin-4-one
CID 146271699
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 4646087
N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
CID 22518383
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one (CID 146271693) is 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one is CCSc1nc2cccnc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is XXTVDQNBKBSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-22-17-19-14-9-6-11-18-15(14)16(21)20(17)12-10-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one?
2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 311.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146271693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).