1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid

C12H14N4O2 — CID 43442124

IUPAC1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)10-3-1-5-15(10)7-9-8-16-6-2-4-13-12(16)14-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyAFPHAZHLWOFNRW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.78
Rot. Bonds3

About 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 43442124) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID43442124
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)10-3-1-5-15(10)7-9-8-16-6-2-4-13-12(16)14-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)
InChIKeyAFPHAZHLWOFNRW-UHFFFAOYSA-N
XLogP0.78
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 43442124) is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cn2cccnc2n1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AFPHAZHLWOFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(18)10-3-1-5-15(10)7-9-8-16-6-2-4-13-12(16)14-9/h2,4,6,8,10H,1,3,5,7H2,(H,17,18).
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).