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

C19H23N3O5 — CID 15989899

IUPAC5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCOc1ccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C19H23N3O5/c1-5-8-27-13-7-6-11(9-14(13)26-4)12-10-15(23)20-17-16(12)18(24)22(3)19(25)21(17)2/h6-7,9,12H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyRVKMFHMDGSRVCF-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.36
Rot. Bonds5

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

5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 15989899) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID15989899
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCOc1ccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C19H23N3O5/c1-5-8-27-13-7-6-11(9-14(13)26-4)12-10-15(23)20-17-16(12)18(24)22(3)19(25)21(17)2/h6-7,9,12H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyRVKMFHMDGSRVCF-UHFFFAOYSA-N
XLogP1.36
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 15989899) is 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is CCCOc1ccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RVKMFHMDGSRVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-5-8-27-13-7-6-11(9-14(13)26-4)12-10-15(23)20-17-16(12)18(24)22(3)19(25)21(17)2/h6-7,9,12H,5,8,10H2,1-4H3,(H,20,23).
What are the key properties of 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 373.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 15989899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).