8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C14H19N3O2S — CID 90989015

IUPAC8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)Cn1c(=O)cc(O)c2cnc(SC)nc21
InChIInChI=1S/C14H19N3O2S/c1-4-9(5-2)8-17-12(19)6-11(18)10-7-15-14(20-3)16-13(10)17/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyCRTKXVPWFYWTOD-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.66
Rot. Bonds5

About 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 90989015) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID90989015
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)Cn1c(=O)cc(O)c2cnc(SC)nc21
InChIInChI=1S/C14H19N3O2S/c1-4-9(5-2)8-17-12(19)6-11(18)10-7-15-14(20-3)16-13(10)17/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyCRTKXVPWFYWTOD-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 90989015) is 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CCC(CC)Cn1c(=O)cc(O)c2cnc(SC)nc21.
What is the InChIKey of 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CRTKXVPWFYWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-9(5-2)8-17-12(19)6-11(18)10-7-15-14(20-3)16-13(10)17/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 293.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90989015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).