2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid

C8H10N2O4 — CID 10512148

IUPAC2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid
SMILESCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-4-5(7(12)13)9-8(14)10-6(4)11/h2-3H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyITOKTMBSXWNASD-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.29
Rot. Bonds3

About 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid

2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid (PubChem CID 10512148) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid
PubChem CID10512148
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid
SMILESCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-4-5(7(12)13)9-8(14)10-6(4)11/h2-3H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyITOKTMBSXWNASD-UHFFFAOYSA-N
XLogP-0.29
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid (CID 10512148) is 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid is CCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid?
The InChIKey is ITOKTMBSXWNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-3-4-5(7(12)13)9-8(14)10-6(4)11/h2-3H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid?
2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5-propyl-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 10512148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).