5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine

C10H13BrFN3 — CID 90001069

IUPAC5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CCC(F)CC2)ncc1Br
InChIInChI=1S/C10H13BrFN3/c1-7-9(11)6-13-10(14-7)15-4-2-8(12)3-5-15/h6,8H,2-5H2,1H3
InChIKeySPILWBCOHGMZCR-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.49
Rot. Bonds1

About 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine

5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine (PubChem CID 90001069) has the molecular formula C10H13BrFN3 and a molecular weight of 274.14 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine
PubChem CID90001069
Molecular FormulaC10H13BrFN3
Molecular Weight274.14 g/mol
Exact Mass273.03
IUPAC Name5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CCC(F)CC2)ncc1Br
InChIInChI=1S/C10H13BrFN3/c1-7-9(11)6-13-10(14-7)15-4-2-8(12)3-5-15/h6,8H,2-5H2,1H3
InChIKeySPILWBCOHGMZCR-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine (CID 90001069) is 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine is Cc1nc(N2CCC(F)CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine?
The InChIKey is SPILWBCOHGMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3/c1-7-9(11)6-13-10(14-7)15-4-2-8(12)3-5-15/h6,8H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine?
5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine has a molecular weight of 274.14 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoropiperidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 90001069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).