propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

C15H19N3O5 — CID 56763674

IUPACpropan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC(C)C)c(C)nc21
InChIInChI=1S/C15H19N3O5/c1-8(2)23-14(20)10-7-11-12(16-9(10)3)18(5-6-22-4)15(21)17-13(11)19/h7-8H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyBGYZOXGBKHMEJC-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.60
Rot. Bonds5

About propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 56763674) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID56763674
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namepropan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC(C)C)c(C)nc21
InChIInChI=1S/C15H19N3O5/c1-8(2)23-14(20)10-7-11-12(16-9(10)3)18(5-6-22-4)15(21)17-13(11)19/h7-8H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyBGYZOXGBKHMEJC-UHFFFAOYSA-N
XLogP0.60
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 56763674) is propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is COCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC(C)C)c(C)nc21.
What is the InChIKey of propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is BGYZOXGBKHMEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-8(2)23-14(20)10-7-11-12(16-9(10)3)18(5-6-22-4)15(21)17-13(11)19/h7-8H,5-6H2,1-4H3,(H,17,19,21).
What are the key properties of propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 56763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).