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

C17H19N3O6 — CID 5303254

IUPAC5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21)
InChIKeySKYXKHHLWDTWNU-UHFFFAOYSA-N
MW361.35 g/mol
LogP0.28
Rot. Bonds3

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

5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 5303254) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID5303254
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21)
InChIKeySKYXKHHLWDTWNU-UHFFFAOYSA-N
XLogP0.28
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione with MolForge

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Related Compounds

4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3162447
5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989899
5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 3162458
1-[1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl]-5-methylpyrimidine-2,4-dione
CID 118734554
3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-
CID 3074793
1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5303253
6-Amino-5-[(6-fluoro-4-hydroxy-2-oxochromen-3-yl)-(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 73212514
5-(3,4,5-trimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171347016
5-(4-hydroxy-3-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171347332
5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171350527
5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol
CID 13734024
8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 2870330

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 5303254) is 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is SKYXKHHLWDTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21).
What are the key properties of 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 361.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 5303254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).