5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine

C10H13BrFN3O — CID 171700828

IUPAC5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CCCC(F)C2)ncc1Br
InChIInChI=1S/C10H13BrFN3O/c1-16-9-8(11)5-13-10(14-9)15-4-2-3-7(12)6-15/h5,7H,2-4,6H2,1H3
InChIKeyBXHFHZLRAAQBBK-UHFFFAOYSA-N
MW290.14 g/mol
LogP2.19
Rot. Bonds2

About 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine

5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine (PubChem CID 171700828) has the molecular formula C10H13BrFN3O and a molecular weight of 290.14 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
PubChem CID171700828
Molecular FormulaC10H13BrFN3O
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC Name5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CCCC(F)C2)ncc1Br
InChIInChI=1S/C10H13BrFN3O/c1-16-9-8(11)5-13-10(14-9)15-4-2-3-7(12)6-15/h5,7H,2-4,6H2,1H3
InChIKeyBXHFHZLRAAQBBK-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine (CID 171700828) is 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine is COc1nc(N2CCCC(F)C2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
The InChIKey is BXHFHZLRAAQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O/c1-16-9-8(11)5-13-10(14-9)15-4-2-3-7(12)6-15/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine?
5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine has a molecular weight of 290.14 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine is sourced from PubChem (CID 171700828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).