6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

C9H10BrN3O2 — CID 83852915

IUPAC6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(N2CCCC2)n1
InChIInChI=1S/C9H10BrN3O2/c10-7-5-6(8(14)15)11-9(12-7)13-3-1-2-4-13/h5H,1-4H2,(H,14,15)
InChIKeyLHBJGQGDGMBWRQ-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.54
Rot. Bonds2

About 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 83852915) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
PubChem CID83852915
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(N2CCCC2)n1
InChIInChI=1S/C9H10BrN3O2/c10-7-5-6(8(14)15)11-9(12-7)13-3-1-2-4-13/h5H,1-4H2,(H,14,15)
InChIKeyLHBJGQGDGMBWRQ-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852679
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid
CID 162374490
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyrimidine-4-carboxylic acid
CID 114219796
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-(2-ethyl-1,4-oxazepan-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 114218802
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321600

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (CID 83852915) is 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(Br)nc(N2CCCC2)n1.
What is the InChIKey of 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is LHBJGQGDGMBWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-5-6(8(14)15)11-9(12-7)13-3-1-2-4-13/h5H,1-4H2,(H,14,15).
What are the key properties of 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 272.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).