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

C15H14ClN3O3 — CID 3162452

IUPAC5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)9(7-11(20)17-13)8-5-3-4-6-10(8)16/h3-6,9H,7H2,1-2H3,(H,17,20)
InChIKeyYNYKFJKTZNTHBF-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.21
Rot. Bonds1

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

5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 3162452) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID3162452
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)9(7-11(20)17-13)8-5-3-4-6-10(8)16/h3-6,9H,7H2,1-2H3,(H,17,20)
InChIKeyYNYKFJKTZNTHBF-UHFFFAOYSA-N
XLogP1.21
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)-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-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426781
1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5299313
5-(4-chlorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4895444
5-(2-Chloro-benzyl)-1H-pyrimidine-2,4-dione
CID 10354131
1,3-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989898
5-[(4-chlorophenyl)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione;N-ethylethanamine
CID 145947186
7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3740460
5-(4-chlorophenyl)-1,3-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891733
5-[(4-chlorophenyl)-(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 69571479
5-(4-fluorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5302889
2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 3723759
7-Amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]-pyrimidine-6-carbonitrile
CID 6494202

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 3162452) is 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1Cl)CC(=O)N2.
What is the InChIKey of 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is YNYKFJKTZNTHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)9(7-11(20)17-13)8-5-3-4-6-10(8)16/h3-6,9H,7H2,1-2H3,(H,17,20).
What are the key properties of 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 319.75 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 3162452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).