5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine

C10H14BrN3O — CID 103779967

IUPAC5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
SMILESCOC1CCCN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-15-8-3-2-4-14(6-8)10-9(11)5-12-7-13-10/h5,7-8H,2-4,6H2,1H3
InChIKeyQKKFYEQODHXCQS-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.85
Rot. Bonds2

About 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine

5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine (PubChem CID 103779967) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
PubChem CID103779967
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
SMILESCOC1CCCN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-15-8-3-2-4-14(6-8)10-9(11)5-12-7-13-10/h5,7-8H,2-4,6H2,1H3
InChIKeyQKKFYEQODHXCQS-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112627790
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine (CID 103779967) is 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine is COC1CCCN(c2ncncc2Br)C1.
What is the InChIKey of 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine?
The InChIKey is QKKFYEQODHXCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-15-8-3-2-4-14(6-8)10-9(11)5-12-7-13-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine?
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine has a molecular weight of 272.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 103779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).