5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine

C12H18BrN3O — CID 103878203

IUPAC5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CCC(C)C(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8-4-5-16(7-9(8)2)12-14-6-10(13)11(15-12)17-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyDPSRFIGPIGXILU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.73
Rot. Bonds2

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

5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine (PubChem CID 103878203) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
PubChem CID103878203
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CCC(C)C(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8-4-5-16(7-9(8)2)12-14-6-10(13)11(15-12)17-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyDPSRFIGPIGXILU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine (CID 103878203) is 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine is COc1nc(N2CCC(C)C(C)C2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine?
The InChIKey is DPSRFIGPIGXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-4-5-16(7-9(8)2)12-14-6-10(13)11(15-12)17-3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine?
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine has a molecular weight of 300.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine is sourced from PubChem (CID 103878203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).