N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

C18H23N3O5S — CID 135543449

IUPACN-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)c1
InChIInChI=1S/C18H23N3O5S/c1-11(2)9-21-17(24)8-15(22)20-18(21)27-10-16(23)19-13-7-12(25-3)5-6-14(13)26-4/h5-8,11,22H,9-10H2,1-4H3,(H,19,23)
InChIKeyXZEJEZIBHOXHNH-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.35
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135543449) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135543449
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)c1
InChIInChI=1S/C18H23N3O5S/c1-11(2)9-21-17(24)8-15(22)20-18(21)27-10-16(23)19-13-7-12(25-3)5-6-14(13)26-4/h5-8,11,22H,9-10H2,1-4H3,(H,19,23)
InChIKeyXZEJEZIBHOXHNH-UHFFFAOYSA-N
XLogP2.35
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 696316
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(3-methoxy-phenyl)-acetamide
CID 1431142
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2346391
2-[3-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3913650
N-(2,5-dimethoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197070
N-(2,5-dimethoxyphenyl)-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7475424
N-(3-Methoxyphenyl)-2-[({5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 8263975
N-(3-methoxyphenyl)-1-methyl-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,6-dihydropyrimidine-5-carboxamide
CID 16813558
N-(2,5-dimethoxyphenyl)-2-(3-ethyl-5-methyl-7-oxo-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
CID 17583643
5-ethyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one
CID 135413737
2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135413740

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135543449) is N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is XZEJEZIBHOXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-11(2)9-21-17(24)8-15(22)20-18(21)27-10-16(23)19-13-7-12(25-3)5-6-14(13)26-4/h5-8,11,22H,9-10H2,1-4H3,(H,19,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 393.47 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135543449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).