2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

C11H11N3O4 — CID 71308000

IUPAC2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C11H11N3O4/c1-4(2)5-3-6(10(16)17)12-8-7(5)9(15)14-11(18)13-8/h3-4H,1-2H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyUWJWLUGHNCATSM-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.43
Rot. Bonds2

About 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 71308000) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID71308000
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C11H11N3O4/c1-4(2)5-3-6(10(16)17)12-8-7(5)9(15)14-11(18)13-8/h3-4H,1-2H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyUWJWLUGHNCATSM-UHFFFAOYSA-N
XLogP0.43
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 71308000) is 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is CC(C)c1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is UWJWLUGHNCATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-4(2)5-3-6(10(16)17)12-8-7(5)9(15)14-11(18)13-8/h3-4H,1-2H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5-propan-2-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 71308000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).