ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate

C21H23N3O7 — CID 2421483

IUPACethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H23N3O7/c1-7-31-20(26)12-10-13(11-8-14(28-4)17(30-6)15(9-11)29-5)22-18-16(12)19(25)24(3)21(27)23(18)2/h8-10H,7H2,1-6H3
InChIKeyBNVCDQBNCYRKPY-UHFFFAOYSA-N
MW429.43 g/mol
LogP1.50
Rot. Bonds6

About ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 2421483) has the molecular formula C21H23N3O7 and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID2421483
Molecular FormulaC21H23N3O7
Molecular Weight429.43 g/mol
Exact Mass429.15
IUPAC Nameethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H23N3O7/c1-7-31-20(26)12-10-13(11-8-14(28-4)17(30-6)15(9-11)29-5)22-18-16(12)19(25)24(3)21(27)23(18)2/h8-10H,7H2,1-6H3
InChIKeyBNVCDQBNCYRKPY-UHFFFAOYSA-N
XLogP1.50
TPSA110.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate (CID 2421483) is ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is BNVCDQBNCYRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O7/c1-7-31-20(26)12-10-13(11-8-14(28-4)17(30-6)15(9-11)29-5)22-18-16(12)19(25)24(3)21(27)23(18)2/h8-10H,7H2,1-6H3.
What are the key properties of ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-2,4-dioxo-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 2421483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).