5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

C13H15N3O4 — CID 71308009

IUPAC5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)CCc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C13H15N3O4/c1-6(2)3-4-7-5-8(12(18)19)14-10-9(7)11(17)16-13(20)15-10/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyZJHRENRTZGLMDJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.90
Rot. Bonds4

About 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 71308009) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID71308009
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)CCc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C13H15N3O4/c1-6(2)3-4-7-5-8(12(18)19)14-10-9(7)11(17)16-13(20)15-10/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyZJHRENRTZGLMDJ-UHFFFAOYSA-N
XLogP0.90
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 71308009) is 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is CC(C)CCc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is ZJHRENRTZGLMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-6(2)3-4-7-5-8(12(18)19)14-10-9(7)11(17)16-13(20)15-10/h5-6H,3-4H2,1-2H3,(H,18,19)(H2,14,15,16,17,20).
What are the key properties of 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 71308009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).