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

C17H19N3O4 — CID 3162457

IUPAC5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCOc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O4/c1-4-24-12-8-6-5-7-10(12)11-9-13(21)18-15-14(11)16(22)20(3)17(23)19(15)2/h5-8,11H,4,9H2,1-3H3,(H,18,21)
InChIKeyVLLUAGUUGDVAEW-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.96
Rot. Bonds3

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

5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 3162457) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID3162457
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCOc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O4/c1-4-24-12-8-6-5-7-10(12)11-9-13(21)18-15-14(11)16(22)20(3)17(23)19(15)2/h5-8,11H,4,9H2,1-3H3,(H,18,21)
InChIKeyVLLUAGUUGDVAEW-UHFFFAOYSA-N
XLogP0.96
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426790
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CID 66550524
4-(2-ethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3162355
5-(2-methoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162456
5-(2,5-dimethoxyphenyl)-1,3-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 3243488
4-(2-butoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3243986
2,4,6,6-tetramethyl-4,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione
CID 3744541
14-Methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
CID 3763609
5-[(4-Ethoxyphenyl)methyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 4902650
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-9H-xanthene-9-carboxamide
CID 1221771
5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989899

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 3162457) is 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is CCOc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VLLUAGUUGDVAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-24-12-8-6-5-7-10(12)11-9-13(21)18-15-14(11)16(22)20(3)17(23)19(15)2/h5-8,11H,4,9H2,1-3H3,(H,18,21).
What are the key properties of 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 329.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 3162457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).