2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

C9H11N3O2 — CID 6622038

IUPAC2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H11N3O2/c13-8(14)7-5-10-9(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeyBARCKZNRVNLERF-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.77
Rot. Bonds2

About 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 6622038) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID6622038
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H11N3O2/c13-8(14)7-5-10-9(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeyBARCKZNRVNLERF-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (CID 6622038) is 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is BARCKZNRVNLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8(14)7-5-10-9(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 6622038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).