5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C16H17N3O5S — CID 4910654

IUPAC5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)[nH]c(=S)n3C)cc(OC)c1O
InChIInChI=1S/C16H17N3O5S/c1-19-14-12(15(22)18-16(19)25)8(6-11(20)17-14)7-4-9(23-2)13(21)10(5-7)24-3/h4-5,8,21H,6H2,1-3H3,(H,17,20)(H,18,22,25)
InChIKeyIEIVJQZZGFSWAL-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.64
Rot. Bonds3

About 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 4910654) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID4910654
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)[nH]c(=S)n3C)cc(OC)c1O
InChIInChI=1S/C16H17N3O5S/c1-19-14-12(15(22)18-16(19)25)8(6-11(20)17-14)7-4-9(23-2)13(21)10(5-7)24-3/h4-5,8,21H,6H2,1-3H3,(H,17,20)(H,18,22,25)
InChIKeyIEIVJQZZGFSWAL-UHFFFAOYSA-N
XLogP1.64
TPSA105.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135511601
5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 25252453
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546803
(10S)-10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831171
(10R)-10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831172
10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135413840
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(10R)-10-(3,4-dimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831130
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428479
(4R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792892

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 4910654) is 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is COc1cc(C2CC(=O)Nc3c2c(=O)[nH]c(=S)n3C)cc(OC)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is IEIVJQZZGFSWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-19-14-12(15(22)18-16(19)25)8(6-11(20)17-14)7-4-9(23-2)13(21)10(5-7)24-3/h4-5,8,21H,6H2,1-3H3,(H,17,20)(H,18,22,25).
What are the key properties of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 363.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 4910654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).