5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C14H15N3O4 — CID 28743351

IUPAC5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C3CC3)c(C(=O)O)cnc21
InChIInChI=1S/C14H15N3O4/c1-2-5-17-11-10(12(18)16-14(17)21)9(7-3-4-7)8(6-15-11)13(19)20/h6-7H,2-5H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyPLLKRMMRYSXIKH-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.07
Rot. Bonds4

About 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid

5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28743351) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28743351
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C3CC3)c(C(=O)O)cnc21
InChIInChI=1S/C14H15N3O4/c1-2-5-17-11-10(12(18)16-14(17)21)9(7-3-4-7)8(6-15-11)13(19)20/h6-7H,2-5H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyPLLKRMMRYSXIKH-UHFFFAOYSA-N
XLogP1.07
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 28743351) is 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid is CCCn1c(=O)[nH]c(=O)c2c(C3CC3)c(C(=O)O)cnc21.
What is the InChIKey of 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is PLLKRMMRYSXIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-5-17-11-10(12(18)16-14(17)21)9(7-3-4-7)8(6-15-11)13(19)20/h6-7H,2-5H2,1H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28743351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).