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

C16H17N3O3 — CID 22430719

IUPAC1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C16H17N3O3/c1-9-5-4-6-10(7-9)11-8-12(20)17-14-13(11)15(21)19(3)16(22)18(14)2/h4-7,11H,8H2,1-3H3,(H,17,20)
InChIKeyHRNYLAHLAOHSAI-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.87
Rot. Bonds1

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

1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 22430719) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID22430719
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C16H17N3O3/c1-9-5-4-6-10(7-9)11-8-12(20)17-14-13(11)15(21)19(3)16(22)18(14)2/h4-7,11H,8H2,1-3H3,(H,17,20)
InChIKeyHRNYLAHLAOHSAI-UHFFFAOYSA-N
XLogP0.87
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 22430719) is 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is HRNYLAHLAOHSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-5-4-6-10(7-9)11-8-12(20)17-14-13(11)15(21)19(3)16(22)18(14)2/h4-7,11H,8H2,1-3H3,(H,17,20).
What are the key properties of 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 299.33 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 22430719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).