methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C19H21N3O4 — CID 3690045

IUPACmethyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(C)cc1
InChIInChI=1S/C19H21N3O4/c1-10-6-8-12(9-7-10)14-13(18(24)26-5)11(2)20-16-15(14)17(23)22(4)19(25)21(16)3/h6-9,14,20H,1-5H3
InChIKeyXGXYOHWMBXUWGT-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.40
Rot. Bonds2

About methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3690045) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID3690045
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(C)cc1
InChIInChI=1S/C19H21N3O4/c1-10-6-8-12(9-7-10)14-13(18(24)26-5)11(2)20-16-15(14)17(23)22(4)19(25)21(16)3/h6-9,14,20H,1-5H3
InChIKeyXGXYOHWMBXUWGT-UHFFFAOYSA-N
XLogP1.40
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 3690045) is methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(C)cc1.
What is the InChIKey of methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is XGXYOHWMBXUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-10-6-8-12(9-7-10)14-13(18(24)26-5)11(2)20-16-15(14)17(23)22(4)19(25)21(16)3/h6-9,14,20H,1-5H3.
What are the key properties of methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,7-trimethyl-5-(4-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3690045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).