2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

C23H27N3O6 — CID 73485187

IUPAC2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1ccc(-c2c(C(=O)OCC(C)C)c(C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H27N3O6/c1-12(2)11-32-22(28)17-13(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)14-8-9-15(30-6)16(10-14)31-7/h8-10,12H,11H2,1-7H3
InChIKeyMBMBEVDXQMIXGN-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.44
Rot. Bonds6

About 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 73485187) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID73485187
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1ccc(-c2c(C(=O)OCC(C)C)c(C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H27N3O6/c1-12(2)11-32-22(28)17-13(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)14-8-9-15(30-6)16(10-14)31-7/h8-10,12H,11H2,1-7H3
InChIKeyMBMBEVDXQMIXGN-UHFFFAOYSA-N
XLogP2.44
TPSA101.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methylpropyl 5-(3-fluorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 73485143
2-methylpropyl 1,3,7-trimethyl-5-(4-nitrophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 73485141
prop-2-enyl 5-(4-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 78363787
7-amino-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476622
5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 101065350
7-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-methylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 7199611
2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N,N-dimethyl-3-oxobutanamide
CID 18561750
ethyl 2-[[2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetyl]amino]acetate
CID 40864187
2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40864130
7-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 40864261
N-tert-butyl-2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 40864047
ethyl 2-acetyl-3-amino-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716257

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 73485187) is 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is COc1ccc(-c2c(C(=O)OCC(C)C)c(C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MBMBEVDXQMIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-12(2)11-32-22(28)17-13(3)24-20-19(21(27)26(5)23(29)25(20)4)18(17)14-8-9-15(30-6)16(10-14)31-7/h8-10,12H,11H2,1-7H3.
What are the key properties of 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 441.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 73485187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).