2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid

C8H10N2O4 — CID 118197688

IUPAC2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)n1c(=O)[nH]cc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-4(2)10-6(11)5(7(12)13)3-9-8(10)14/h3-4H,1-2H3,(H,9,14)(H,12,13)
InChIKeyCZCRUYRZBDTVFT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.18
Rot. Bonds2

About 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid

2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid (PubChem CID 118197688) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid
PubChem CID118197688
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)n1c(=O)[nH]cc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-4(2)10-6(11)5(7(12)13)3-9-8(10)14/h3-4H,1-2H3,(H,9,14)(H,12,13)
InChIKeyCZCRUYRZBDTVFT-UHFFFAOYSA-N
XLogP-0.18
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid (CID 118197688) is 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid is CC(C)n1c(=O)[nH]cc(C(=O)O)c1=O.
What is the InChIKey of 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CZCRUYRZBDTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(2)10-6(11)5(7(12)13)3-9-8(10)14/h3-4H,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid?
2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 118197688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).