5-bromo-2-pyrrolidin-2-ylpyrimidine

C8H10BrN3 — CID 63317319

IUPAC5-bromo-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1cnc(C2CCCN2)nc1
InChIInChI=1S/C8H10BrN3/c9-6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKeyVRWNNUCLJLQNND-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.66
Rot. Bonds1

About 5-bromo-2-pyrrolidin-2-ylpyrimidine

5-bromo-2-pyrrolidin-2-ylpyrimidine (PubChem CID 63317319) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-2-ylpyrimidine
PubChem CID63317319
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name5-bromo-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1cnc(C2CCCN2)nc1
InChIInChI=1S/C8H10BrN3/c9-6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKeyVRWNNUCLJLQNND-UHFFFAOYSA-N
XLogP1.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 49857010
1-(5-Bromopyrimidin-2-yl)piperazine
CID 2757175
5-bromo-N-cyclopropylpyrimidin-4-amine
CID 66341876
2-(Pyrrolidin-2-YL)pyrimidine
CID 18542479
5-Bromo-2-(pyrrolidin-1-yl)pyrimidine
CID 6622013
1-(5-Bromopyrimidin-2-yl)(1,4)diazepane
CID 2761040
(5-Bromopyrimidin-2-yl)methanamine
CID 52987854
N-(pyrrolidin-3-yl)pyrimidin-2-amine
CID 62381001
1-(5-Bromopyrimidin-2-yl)ethan-1-amine
CID 63317417
1-(5-Bromopyrimidin-2-yl)cyclopropan-1-amine
CID 66968254
(1S,4S)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 71173369
(5-Bromopyrimidin-2-yl)methanamine hydrochloride
CID 72710399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyrimidine (CID 63317319) is 5-bromo-2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2-pyrrolidin-2-ylpyrimidine is Brc1cnc(C2CCCN2)nc1.
What is the InChIKey of 5-bromo-2-pyrrolidin-2-ylpyrimidine?
The InChIKey is VRWNNUCLJLQNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2.
What are the key properties of 5-bromo-2-pyrrolidin-2-ylpyrimidine?
5-bromo-2-pyrrolidin-2-ylpyrimidine has a molecular weight of 228.09 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 63317319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).