2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid

C9H11N3O2 — CID 83818283

IUPAC2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-2-4-11-8(12-7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2,(H,13,14)
InChIKeyLPBIKDAYEJYQKG-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.25
Rot. Bonds2

About 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid

2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 83818283) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
PubChem CID83818283
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNC2)n1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-2-4-11-8(12-7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2,(H,13,14)
InChIKeyLPBIKDAYEJYQKG-UHFFFAOYSA-N
XLogP0.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
2-(3-ethylcyclopentyl)pyrimidine-4-carboxylic acid
CID 65405640
2-cyclobutylpyrimidine-4-carboxamide
CID 67177134
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200838
4-pyrrolidin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 105490624
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
CID 142582873
chloro 2-cyclopropylpyrimidine-4-carboxylate
CID 130362648
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
CID 120803031

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid (CID 83818283) is 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C2CCNC2)n1.
What is the InChIKey of 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is LPBIKDAYEJYQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)7-2-4-11-8(12-7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2,(H,13,14).
What are the key properties of 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid?
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83818283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).