2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid

C14H14N2O5 — CID 79874433

IUPAC2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Oc1ccc(-n2cc(C(=O)O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O5/c1-8(2)21-10-5-3-9(4-6-10)16-7-11(13(18)19)12(17)15-14(16)20/h3-8H,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyUPXSYGGPIOFAAP-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.01
Rot. Bonds4

About 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid

2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid (PubChem CID 79874433) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
PubChem CID79874433
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Oc1ccc(-n2cc(C(=O)O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O5/c1-8(2)21-10-5-3-9(4-6-10)16-7-11(13(18)19)12(17)15-14(16)20/h3-8H,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyUPXSYGGPIOFAAP-UHFFFAOYSA-N
XLogP1.01
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid (CID 79874433) is 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid is CC(C)Oc1ccc(-n2cc(C(=O)O)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is UPXSYGGPIOFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8(2)21-10-5-3-9(4-6-10)16-7-11(13(18)19)12(17)15-14(16)20/h3-8H,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid?
2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79874433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).