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

C15H14ClN3O3 — CID 22430725

IUPAC5-(3-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(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)10(7-11(20)17-13)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H,17,20)
InChIKeyWBBKXXXODHXWIM-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.21
Rot. Bonds1

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

5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 22430725) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID22430725
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name5-(3-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(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)10(7-11(20)17-13)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H,17,20)
InChIKeyWBBKXXXODHXWIM-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 22430725) is 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(3-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(c1cccc(Cl)c1)CC(=O)N2.
What is the InChIKey of 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WBBKXXXODHXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)10(7-11(20)17-13)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H,17,20).
What are the key properties of 5-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(3-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-(3-chlorophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 22430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).