5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

C15H18BrN5O2 — CID 172901093

IUPAC5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCOc1nc(N2CCCC(Oc3ncc(C)cn3)C2)ncc1Br
InChIInChI=1S/C15H18BrN5O2/c1-10-6-18-15(19-7-10)23-11-4-3-5-21(9-11)14-17-8-12(16)13(20-14)22-2/h6-8,11H,3-5,9H2,1-2H3
InChIKeyWTXPXYZEOGAQOF-UHFFFAOYSA-N
MW380.25 g/mol
LogP2.39
Rot. Bonds4

About 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (PubChem CID 172901093) has the molecular formula C15H18BrN5O2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
PubChem CID172901093
Molecular FormulaC15H18BrN5O2
Molecular Weight380.25 g/mol
Exact Mass379.06
IUPAC Name5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCOc1nc(N2CCCC(Oc3ncc(C)cn3)C2)ncc1Br
InChIInChI=1S/C15H18BrN5O2/c1-10-6-18-15(19-7-10)23-11-4-3-5-21(9-11)14-17-8-12(16)13(20-14)22-2/h6-8,11H,3-5,9H2,1-2H3
InChIKeyWTXPXYZEOGAQOF-UHFFFAOYSA-N
XLogP2.39
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
CID 171701964
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 106998228
N-[[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106999659
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 103745895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (CID 172901093) is 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is COc1nc(N2CCCC(Oc3ncc(C)cn3)C2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The InChIKey is WTXPXYZEOGAQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O2/c1-10-6-18-15(19-7-10)23-11-4-3-5-21(9-11)14-17-8-12(16)13(20-14)22-2/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine has a molecular weight of 380.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 172901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).