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

C17H19N3O5 — CID 3162458

IUPAC5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC
InChIInChI=1S/C17H19N3O5/c1-19-15-13(16(22)20(2)17(19)23)10(8-12(21)18-15)9-6-5-7-11(24-3)14(9)25-4/h5-7,10H,8H2,1-4H3,(H,18,21)
InChIKeyUJXMRHFWCWLQJA-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.58
Rot. Bonds3

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

5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 3162458) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID3162458
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC
InChIInChI=1S/C17H19N3O5/c1-19-15-13(16(22)20(2)17(19)23)10(8-12(21)18-15)9-6-5-7-11(24-3)14(9)25-4/h5-7,10H,8H2,1-4H3,(H,18,21)
InChIKeyUJXMRHFWCWLQJA-UHFFFAOYSA-N
XLogP0.58
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 3162458) is 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UJXMRHFWCWLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19-15-13(16(22)20(2)17(19)23)10(8-12(21)18-15)9-6-5-7-11(24-3)14(9)25-4/h5-7,10H,8H2,1-4H3,(H,18,21).
What are the key properties of 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 345.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 3162458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).