5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid

C8H7IN2O3 — CID 143326587

IUPAC5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(I)[nH]c(=O)c1C1CC1
InChIInChI=1S/C8H7IN2O3/c9-8-10-5(7(13)14)4(3-1-2-3)6(12)11-8/h3H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyMFLJYUCHTNPHEV-UHFFFAOYSA-N
MW306.06 g/mol
LogP0.95
Rot. Bonds2

About 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid

5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 143326587) has the molecular formula C8H7IN2O3 and a molecular weight of 306.06 g/mol. Its IUPAC name is 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID143326587
Molecular FormulaC8H7IN2O3
Molecular Weight306.06 g/mol
Exact Mass305.95
IUPAC Name5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(I)[nH]c(=O)c1C1CC1
InChIInChI=1S/C8H7IN2O3/c9-8-10-5(7(13)14)4(3-1-2-3)6(12)11-8/h3H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyMFLJYUCHTNPHEV-UHFFFAOYSA-N
XLogP0.95
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881
4-cyclopropyl-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82372812
2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
CID 137159066
2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
CID 84697489
2-iodo-5-propyl-1H-imidazole-4-carboxylic acid
CID 22025962
(5-chloro-2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate
CID 67426159
6-amino-5-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 84686698
3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 174666918
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360
bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid
CID 14967332

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 143326587) is 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(I)[nH]c(=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is MFLJYUCHTNPHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O3/c9-8-10-5(7(13)14)4(3-1-2-3)6(12)11-8/h3H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 306.06 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 143326587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).