2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C14H17N3O2S — CID 686635

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-17(2)8-9-20-14-15-12(18)11(13(19)16-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyXKIDWFKNNDFENP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 686635) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID686635
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-17(2)8-9-20-14-15-12(18)11(13(19)16-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyXKIDWFKNNDFENP-UHFFFAOYSA-N
XLogP1.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 686635) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is CN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is XKIDWFKNNDFENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(2)8-9-20-14-15-12(18)11(13(19)16-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 291.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 686635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).