7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid

C12H11N3O4 — CID 18802049

IUPAC7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C12H11N3O4/c1-15-9-8(10(16)14-12(15)19)6(11(17)18)4-7(13-9)5-2-3-5/h4-5H,2-3H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyYNAAJIOEGXJCFK-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.20
Rot. Bonds2

About 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid

7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 18802049) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID18802049
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C12H11N3O4/c1-15-9-8(10(16)14-12(15)19)6(11(17)18)4-7(13-9)5-2-3-5/h4-5H,2-3H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyYNAAJIOEGXJCFK-UHFFFAOYSA-N
XLogP0.20
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 18802049) is 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid is Cn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is YNAAJIOEGXJCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-15-9-8(10(16)14-12(15)19)6(11(17)18)4-7(13-9)5-2-3-5/h4-5H,2-3H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid?
7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 18802049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).