1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid

C13H15N3O4 — CID 18802061

IUPAC1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C(C)C)nc21
InChIInChI=1S/C13H15N3O4/c1-4-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6(2)3/h5-6H,4H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyMJKPBWIDJWASIC-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.93
Rot. Bonds3

About 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid

1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 18802061) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID18802061
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C(C)C)nc21
InChIInChI=1S/C13H15N3O4/c1-4-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6(2)3/h5-6H,4H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyMJKPBWIDJWASIC-UHFFFAOYSA-N
XLogP0.93
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 18802061) is 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid is CCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is MJKPBWIDJWASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-4-16-10-9(11(17)15-13(16)20)7(12(18)19)5-8(14-10)6(2)3/h5-6H,4H2,1-3H3,(H,18,19)(H,15,17,20).
What are the key properties of 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 18802061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).