6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H17N3O3S — CID 24925728

IUPAC6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3[nH]c(=S)[nH]c(=O)c3C2)c(O)c1
InChIInChI=1S/C15H17N3O3S/c1-21-10-3-2-9(13(19)6-10)7-18-5-4-12-11(8-18)14(20)17-15(22)16-12/h2-3,6,19H,4-5,7-8H2,1H3,(H2,16,17,20,22)
InChIKeyYGVPCZOOZSZVSL-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.70
Rot. Bonds3

About 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 24925728) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID24925728
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3[nH]c(=S)[nH]c(=O)c3C2)c(O)c1
InChIInChI=1S/C15H17N3O3S/c1-21-10-3-2-9(13(19)6-10)7-18-5-4-12-11(8-18)14(20)17-15(22)16-12/h2-3,6,19H,4-5,7-8H2,1H3,(H2,16,17,20,22)
InChIKeyYGVPCZOOZSZVSL-UHFFFAOYSA-N
XLogP1.70
TPSA81.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-[6-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
CID 71568996
1-(2-Aminoethyl)-6-(2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 71571305
6-(2,4-Dimethoxyphenyl)-1-(2-hydroxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 86684674
6-(2,4-Dimethoxyphenyl)-1-(2-propan-2-yloxyethyl)-2-sulfanylidenepyrimidin-4-one
CID 89557836
2-[6-(2,4-Dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
CID 89557987
1-[2-(2,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 44246373
1-[2-(2,6-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 44246378
1-(2-Aminoethyl)-6-(5-fluoro-2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 89557241
1-(3-Aminopropyl)-6-(5-fluoro-2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 89557255
2-[6-(5-Fluoro-2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
CID 89557605
6-(5-Fluoro-2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-2-sulfanylidenepyrimidin-4-one
CID 89557770
1-[(2R)-3-amino-2-hydroxypropyl]-6-(2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 89557772

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 24925728) is 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(CN2CCc3[nH]c(=S)[nH]c(=O)c3C2)c(O)c1.
What is the InChIKey of 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YGVPCZOOZSZVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-10-3-2-9(13(19)6-10)7-18-5-4-12-11(8-18)14(20)17-15(22)16-12/h2-3,6,19H,4-5,7-8H2,1H3,(H2,16,17,20,22).
What are the key properties of 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 24925728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).