5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine

C12H17BrClN3 — CID 83056222

IUPAC5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1nc(Cl)ncc1Br
InChIInChI=1S/C12H17BrClN3/c1-2-5-9-6-3-4-7-17(9)11-10(13)8-15-12(14)16-11/h8-9H,2-7H2,1H3
InChIKeyDCYZORGGAPYNNM-UHFFFAOYSA-N
MW318.65 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine

5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine (PubChem CID 83056222) has the molecular formula C12H17BrClN3 and a molecular weight of 318.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
PubChem CID83056222
Molecular FormulaC12H17BrClN3
Molecular Weight318.65 g/mol
Exact Mass317.03
IUPAC Name5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1nc(Cl)ncc1Br
InChIInChI=1S/C12H17BrClN3/c1-2-5-9-6-3-4-7-17(9)11-10(13)8-15-12(14)16-11/h8-9H,2-7H2,1H3
InChIKeyDCYZORGGAPYNNM-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-4-(2-propylpiperidin-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

6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
CID 83046088
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 83045774
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine (CID 83056222) is 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine is CCCC1CCCCN1c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine?
The InChIKey is DCYZORGGAPYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3/c1-2-5-9-6-3-4-7-17(9)11-10(13)8-15-12(14)16-11/h8-9H,2-7H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine?
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine has a molecular weight of 318.65 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 83056222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).