5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H9N5O3 — CID 137128638

IUPAC5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ncc(-c2nc(C(N)=O)c(O)c(=O)[nH]2)[nH]1
InChIInChI=1S/C9H9N5O3/c1-3-11-2-4(12-3)8-13-5(7(10)16)6(15)9(17)14-8/h2,15H,1H3,(H2,10,16)(H,11,12)(H,13,14,17)
InChIKeyCBENIWDIOWIRFA-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.73
Rot. Bonds2

About 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137128638) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137128638
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ncc(-c2nc(C(N)=O)c(O)c(=O)[nH]2)[nH]1
InChIInChI=1S/C9H9N5O3/c1-3-11-2-4(12-3)8-13-5(7(10)16)6(15)9(17)14-8/h2,15H,1H3,(H2,10,16)(H,11,12)(H,13,14,17)
InChIKeyCBENIWDIOWIRFA-UHFFFAOYSA-N
XLogP-0.73
TPSA137.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137128638) is 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ncc(-c2nc(C(N)=O)c(O)c(=O)[nH]2)[nH]1.
What is the InChIKey of 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CBENIWDIOWIRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-3-11-2-4(12-3)8-13-5(7(10)16)6(15)9(17)14-8/h2,15H,1H3,(H2,10,16)(H,11,12)(H,13,14,17).
What are the key properties of 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137128638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).