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

C14H18ClN3O2S — CID 146048642

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride
SMILESCN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/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);1H
InChIKeySWJMWWPYAGFZOT-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.22
Rot. Bonds5

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

2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 146048642) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID146048642
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride
SMILESCN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/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);1H
InChIKeySWJMWWPYAGFZOT-UHFFFAOYSA-N
XLogP2.22
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylsulfanyl]-5-heptyl-4-hydroxy-1H-pyrimidin-6-one;hydrochloride
CID 16682155
N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2229086
8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine
CID 13478848
4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
CID 65431560
4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135415843
4-(4-chlorophenyl)-2-[2-(dimethylamino)ethylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135667194
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 23411399
2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 3414179
6-[(dimethylamino)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 127039131
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115345591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride (CID 146048642) is 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride is CN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SWJMWWPYAGFZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/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);1H.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride?
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 2.22, 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;hydrochloride is sourced from PubChem (CID 146048642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).