4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid

C11H11N5O5 — CID 107624813

IUPAC4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)c2nc[nH]c2C(=O)O)n1
InChIInChI=1S/C11H11N5O5/c1-20-5-3-6(21-2)15-11(14-5)16-9(17)7-8(10(18)19)13-4-12-7/h3-4H,1-2H3,(H,12,13)(H,18,19)(H,14,15,16,17)
InChIKeyUVRMYYNFJGFQOY-UHFFFAOYSA-N
MW293.24 g/mol
LogP0.17
Rot. Bonds5

About 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 107624813) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID107624813
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)c2nc[nH]c2C(=O)O)n1
InChIInChI=1S/C11H11N5O5/c1-20-5-3-6(21-2)15-11(14-5)16-9(17)7-8(10(18)19)13-4-12-7/h3-4H,1-2H3,(H,12,13)(H,18,19)(H,14,15,16,17)
InChIKeyUVRMYYNFJGFQOY-UHFFFAOYSA-N
XLogP0.17
TPSA139.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 107624813) is 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid is COc1cc(OC)nc(NC(=O)c2nc[nH]c2C(=O)O)n1.
What is the InChIKey of 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is UVRMYYNFJGFQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5/c1-20-5-3-6(21-2)15-11(14-5)16-9(17)7-8(10(18)19)13-4-12-7/h3-4H,1-2H3,(H,12,13)(H,18,19)(H,14,15,16,17).
What are the key properties of 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 293.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 107624813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).