5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine

C12H18BrN3O — CID 122151345

IUPAC5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine
SMILESCOC1CCN(c2nc(C)nc(C)c2Br)CC1
InChIInChI=1S/C12H18BrN3O/c1-8-11(13)12(15-9(2)14-8)16-6-4-10(17-3)5-7-16/h10H,4-7H2,1-3H3
InChIKeyQXUNEMIWPSHEMQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.47
Rot. Bonds2

About 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine

5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine (PubChem CID 122151345) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine
PubChem CID122151345
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine
SMILESCOC1CCN(c2nc(C)nc(C)c2Br)CC1
InChIInChI=1S/C12H18BrN3O/c1-8-11(13)12(15-9(2)14-8)16-6-4-10(17-3)5-7-16/h10H,4-7H2,1-3H3
InChIKeyQXUNEMIWPSHEMQ-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 103541817
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
CID 69460039
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
CID 102750334
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567
N-ethyl-6-(4-methoxypiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 80783406
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
CID 103517696
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
CID 130548007
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine?
The IUPAC name of 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine (CID 122151345) is 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine?
The canonical SMILES for 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine is COC1CCN(c2nc(C)nc(C)c2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine?
The InChIKey is QXUNEMIWPSHEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-11(13)12(15-9(2)14-8)16-6-4-10(17-3)5-7-16/h10H,4-7H2,1-3H3.
What are the key properties of 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine?
5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine has a molecular weight of 300.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 122151345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).