ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C25H25N3O5 — CID 123763150

IUPACethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25N3O5/c1-5-32-24(30)19-15(2)26-22-21(23(29)28(4)25(31)27(22)3)20(19)16-10-9-13-18(14-16)33-17-11-7-6-8-12-17/h6-14,19-20H,5H2,1-4H3
InChIKeyWNZKDWOYGQWFTQ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.29
Rot. Bonds5

About ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 123763150) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID123763150
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Nameethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25N3O5/c1-5-32-24(30)19-15(2)26-22-21(23(29)28(4)25(31)27(22)3)20(19)16-10-9-13-18(14-16)33-17-11-7-6-8-12-17/h6-14,19-20H,5H2,1-4H3
InChIKeyWNZKDWOYGQWFTQ-UHFFFAOYSA-N
XLogP3.29
TPSA91.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 123763150) is ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WNZKDWOYGQWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-5-32-24(30)19-15(2)26-22-21(23(29)28(4)25(31)27(22)3)20(19)16-10-9-13-18(14-16)33-17-11-7-6-8-12-17/h6-14,19-20H,5H2,1-4H3.
What are the key properties of ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 123763150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).