1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid

C8H8N2O4 — CID 55255033

IUPAC1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c11-6-5(7(12)13)3-10(4-1-2-4)8(14)9-6/h3-4H,1-2H2,(H,12,13)(H,9,11,14)
InChIKeyHPWNKQNZJDYTMW-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.43
Rot. Bonds2

About 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid

1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 55255033) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID55255033
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c11-6-5(7(12)13)3-10(4-1-2-4)8(14)9-6/h3-4H,1-2H2,(H,12,13)(H,9,11,14)
InChIKeyHPWNKQNZJDYTMW-UHFFFAOYSA-N
XLogP-0.43
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.43
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
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 13052842
3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 253771
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
5-Carboxyuracil N,N-dimethylformamide monosolvate
CID 139062267
5-Carboxyuracil N,N-dimethylacetamide monosolvate
CID 139062269
bis(2,4-dioxo-1H-pyrimidine-5-carboxylic acid);dihydrate
CID 139066759
2,4-Dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
CID 79873769
2,4-Dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
CID 79876122
2,4-Dioxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-5-carboxylic acid
CID 106217040
2,4-Dioxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-5-carboxylic acid
CID 106295444

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 55255033) is 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid is O=C(O)c1cn(C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is HPWNKQNZJDYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-5(7(12)13)3-10(4-1-2-4)8(14)9-6/h3-4H,1-2H2,(H,12,13)(H,9,11,14).
What are the key properties of 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid?
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 55255033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).