1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

C16H15N5O2 — CID 56767615

IUPAC1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCCc1c(C)nc(-c2ccncc2)nc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C16H15N5O2/c1-3-12-10(2)19-14(11-4-6-17-7-5-11)20-15(12)21-8-13(16(22)23)18-9-21/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyGSOKEFWGSYTDJL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.29
Rot. Bonds4

About 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 56767615) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID56767615
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCCc1c(C)nc(-c2ccncc2)nc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C16H15N5O2/c1-3-12-10(2)19-14(11-4-6-17-7-5-11)20-15(12)21-8-13(16(22)23)18-9-21/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyGSOKEFWGSYTDJL-UHFFFAOYSA-N
XLogP2.29
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (CID 56767615) is 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is CCc1c(C)nc(-c2ccncc2)nc1-n1cnc(C(=O)O)c1.
What is the InChIKey of 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is GSOKEFWGSYTDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-3-12-10(2)19-14(11-4-6-17-7-5-11)20-15(12)21-8-13(16(22)23)18-9-21/h4-9H,3H2,1-2H3,(H,22,23).
What are the key properties of 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 56767615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).