2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride

C9H12ClN3O2 — CID 139026786

IUPAC2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H11N3O2.ClH/c13-8(14)7-3-4-10-9(11-7)12-5-1-2-6-12;/h3-4H,1-2,5-6H2,(H,13,14);1H
InChIKeyGGIIQDNTBSZNPX-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.20
Rot. Bonds2

About 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride

2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 139026786) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride
PubChem CID139026786
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H11N3O2.ClH/c13-8(14)7-3-4-10-9(11-7)12-5-1-2-6-12;/h3-4H,1-2,5-6H2,(H,13,14);1H
InChIKeyGGIIQDNTBSZNPX-UHFFFAOYSA-N
XLogP1.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.20
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-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride (CID 139026786) is 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccnc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is GGIIQDNTBSZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.ClH/c13-8(14)7-3-4-10-9(11-7)12-5-1-2-6-12;/h3-4H,1-2,5-6H2,(H,13,14);1H.
What are the key properties of 2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride?
2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 229.67 g/mol, XLogP of 1.20, 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-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 139026786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).