1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H18N4O2 — CID 71564362

IUPAC1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H18N4O2/c18-13(19)10-4-3-7-17(10)12-8-11(14-9-15-12)16-5-1-2-6-16/h8-10H,1-7H2,(H,18,19)
InChIKeyCHOROONAVJTIOL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.13
Rot. Bonds3

About 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 71564362) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID71564362
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H18N4O2/c18-13(19)10-4-3-7-17(10)12-8-11(14-9-15-12)16-5-1-2-6-16/h8-10H,1-7H2,(H,18,19)
InChIKeyCHOROONAVJTIOL-UHFFFAOYSA-N
XLogP1.13
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 71564362) is 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1cc(N2CCCC2)ncn1.
What is the InChIKey of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is CHOROONAVJTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(19)10-4-3-7-17(10)12-8-11(14-9-15-12)16-5-1-2-6-16/h8-10H,1-7H2,(H,18,19).
What are the key properties of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71564362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).