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

C12H13N3O4 — CID 56723710

IUPAC5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C12H13N3O4/c1-5(2)3-6-4-7(11(17)18)13-9-8(6)10(16)15-12(19)14-9/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19)
InChIKeyWEIANLGKIOWDFR-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.51
Rot. Bonds3

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

5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 56723710) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID56723710
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C12H13N3O4/c1-5(2)3-6-4-7(11(17)18)13-9-8(6)10(16)15-12(19)14-9/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19)
InChIKeyWEIANLGKIOWDFR-UHFFFAOYSA-N
XLogP0.51
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 56723710) is 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is CC(C)Cc1cc(C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is WEIANLGKIOWDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-5(2)3-6-4-7(11(17)18)13-9-8(6)10(16)15-12(19)14-9/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19).
What are the key properties of 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 56723710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).