1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H15N5O2 — CID 67491365

IUPAC1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCCC2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20)
InChIKeyMZOQFGOLUIBKBP-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 67491365) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID67491365
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CCCC2C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20)
InChIKeyMZOQFGOLUIBKBP-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 67491365) is 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1cc(N2CCCC2C(=O)O)nc(-n2ccnc2)n1.
What is the InChIKey of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MZOQFGOLUIBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-7-11(18-5-2-3-10(18)12(19)20)16-13(15-9)17-6-4-14-8-17/h4,6-8,10H,2-3,5H2,1H3,(H,19,20).
What are the key properties of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67491365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).