ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

C17H23N3O4 — CID 17413883

IUPACethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C17H23N3O4/c1-6-24-16(22)11-7-12(10(4)5)18-14-13(11)15(21)19-17(23)20(14)8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,19,21,23)
InChIKeyDPTIYHFQMHMARZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.04
Rot. Bonds5

About ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 17413883) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID17413883
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C17H23N3O4/c1-6-24-16(22)11-7-12(10(4)5)18-14-13(11)15(21)19-17(23)20(14)8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,19,21,23)
InChIKeyDPTIYHFQMHMARZ-UHFFFAOYSA-N
XLogP2.04
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 17413883) is ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.
What is the InChIKey of ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is DPTIYHFQMHMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-6-24-16(22)11-7-12(10(4)5)18-14-13(11)15(21)19-17(23)20(14)8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,19,21,23).
What are the key properties of ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 17413883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).