2,4-dioxo-1-propylpyrimidine-5-carboxylic acid

C8H10N2O4 — CID 79001944

IUPAC2,4-dioxo-1-propylpyrimidine-5-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-10-4-5(7(12)13)6(11)9-8(10)14/h4H,2-3H2,1H3,(H,12,13)(H,9,11,14)
InChIKeyVPMVDBMJVKVOTI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.36
Rot. Bonds3

About 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid

2,4-dioxo-1-propylpyrimidine-5-carboxylic acid (PubChem CID 79001944) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-propylpyrimidine-5-carboxylic acid
PubChem CID79001944
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,4-dioxo-1-propylpyrimidine-5-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-10-4-5(7(12)13)6(11)9-8(10)14/h4H,2-3H2,1H3,(H,12,13)(H,9,11,14)
InChIKeyVPMVDBMJVKVOTI-UHFFFAOYSA-N
XLogP-0.36
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
CID 90301
3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 253771
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 13052842
1-Octyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 20540629
Uracil-5-carboxylate
CID 6971263
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
1-Cyclopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 55255033
3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-oxopropanoic acid
CID 59646354
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 19696230
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid--water (1/1)
CID 21116606

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid (CID 79001944) is 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid is CCCn1cc(C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid?
The InChIKey is VPMVDBMJVKVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-3-10-4-5(7(12)13)6(11)9-8(10)14/h4H,2-3H2,1H3,(H,12,13)(H,9,11,14).
What are the key properties of 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid?
2,4-dioxo-1-propylpyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-propylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 79001944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).