5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine

C13H13BrN4 — CID 66340176

IUPAC5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine
SMILESBrc1cncnc1N1CCCC1c1ccncc1
InChIInChI=1S/C13H13BrN4/c14-11-8-16-9-17-13(11)18-7-1-2-12(18)10-3-5-15-6-4-10/h3-6,8-9,12H,1-2,7H2
InChIKeyMINXLFMNICIHNY-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine

5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 66340176) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine
PubChem CID66340176
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine
SMILESBrc1cncnc1N1CCCC1c1ccncc1
InChIInChI=1S/C13H13BrN4/c14-11-8-16-9-17-13(11)18-7-1-2-12(18)10-3-5-15-6-4-10/h3-6,8-9,12H,1-2,7H2
InChIKeyMINXLFMNICIHNY-UHFFFAOYSA-N
XLogP2.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amprolium ion
CID 2178
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
1-methyl-4-[2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidin-4-yl]-1,4-diazepane
CID 138501432
CXCR4 antagonist 6
CID 138501464
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
2-(Pyridin-3-yl)pyrimidine
CID 13349629
2-Phenylpyrimidine
CID 593578
4-[4-(1H-pyrrol-1-yl)phenyl]-2-pyrimidinamine
CID 5204874
1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-pyridinyl)-
CID 740942
11-Cyclopropyldipyrido[2,3-b:3',2'-f]azepine
CID 470618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine (CID 66340176) is 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine is Brc1cncnc1N1CCCC1c1ccncc1.
What is the InChIKey of 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is MINXLFMNICIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-11-8-16-9-17-13(11)18-7-1-2-12(18)10-3-5-15-6-4-10/h3-6,8-9,12H,1-2,7H2.
What are the key properties of 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine?
5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 305.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-pyridin-4-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 66340176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).