2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid

C14H15N5O4 — CID 69362782

IUPAC2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid
SMILESCc1cc(C2C(C(=O)O)CCN2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15N5O4/c1-8-6-10(17-13(16-8)18-5-3-15-7-18)11-9(12(20)21)2-4-19(11)14(22)23/h3,5-7,9,11H,2,4H2,1H3,(H,20,21)(H,22,23)
InChIKeyWUVDXZNQDGNYAD-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.10
Rot. Bonds3

About 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid (PubChem CID 69362782) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid
PubChem CID69362782
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid
SMILESCc1cc(C2C(C(=O)O)CCN2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15N5O4/c1-8-6-10(17-13(16-8)18-5-3-15-7-18)11-9(12(20)21)2-4-19(11)14(22)23/h3,5-7,9,11H,2,4H2,1H3,(H,20,21)(H,22,23)
InChIKeyWUVDXZNQDGNYAD-UHFFFAOYSA-N
XLogP1.10
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid (CID 69362782) is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid is Cc1cc(C2C(C(=O)O)CCN2C(=O)O)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid?
The InChIKey is WUVDXZNQDGNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-8-6-10(17-13(16-8)18-5-3-15-7-18)11-9(12(20)21)2-4-19(11)14(22)23/h3,5-7,9,11H,2,4H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid?
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 69362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).