1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine

C11H17BrN4O — CID 106998228

IUPAC1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(N)C(C)C2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-7-6-16(4-3-9(7)13)11-14-5-8(12)10(15-11)17-2/h5,7,9H,3-4,6,13H2,1-2H3
InChIKeyJSCQQPJOPWGPTN-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.42
Rot. Bonds2

About 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine

1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine (PubChem CID 106998228) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
PubChem CID106998228
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(N)C(C)C2)ncc1Br
InChIInChI=1S/C11H17BrN4O/c1-7-6-16(4-3-9(7)13)11-14-5-8(12)10(15-11)17-2/h5,7,9H,3-4,6,13H2,1-2H3
InChIKeyJSCQQPJOPWGPTN-UHFFFAOYSA-N
XLogP1.42
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine (CID 106998228) is 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine is COc1nc(N2CCC(N)C(C)C2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The InChIKey is JSCQQPJOPWGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7-6-16(4-3-9(7)13)11-14-5-8(12)10(15-11)17-2/h5,7,9H,3-4,6,13H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine has a molecular weight of 301.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 106998228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).