5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine

C11H16BrN3 — CID 130698201

IUPAC5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCc1ncc(Br)c(N2CCCC(C)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-4-3-5-15(7-8)11-10(12)6-13-9(2)14-11/h6,8H,3-5,7H2,1-2H3
InChIKeyXPIXKQRIWDDUAY-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine

5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 130698201) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID130698201
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCc1ncc(Br)c(N2CCCC(C)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-4-3-5-15(7-8)11-10(12)6-13-9(2)14-11/h6,8H,3-5,7H2,1-2H3
InChIKeyXPIXKQRIWDDUAY-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine (CID 130698201) is 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine is Cc1ncc(Br)c(N2CCCC(C)C2)n1.
What is the InChIKey of 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is XPIXKQRIWDDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-4-3-5-15(7-8)11-10(12)6-13-9(2)14-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine?
5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 270.17 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 130698201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).