[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol

C11H16BrN3O2 — CID 106998436

IUPAC[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
SMILESCOc1nc(N2CCCCC2CO)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-5-3-2-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3
InChIKeyAPMMMWBJGUVSSG-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.60
Rot. Bonds3

About [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol

[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol (PubChem CID 106998436) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
PubChem CID106998436
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
SMILESCOc1nc(N2CCCCC2CO)ncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-5-3-2-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3
InChIKeyAPMMMWBJGUVSSG-UHFFFAOYSA-N
XLogP1.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.60
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)piperidin-2-yl]methanol?
The IUPAC name of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol (CID 106998436) is [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol is COc1nc(N2CCCCC2CO)ncc1Br.
What is the InChIKey of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol?
The InChIKey is APMMMWBJGUVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-17-10-9(12)6-13-11(14-10)15-5-3-2-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3.
What are the key properties of [1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol?
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol has a molecular weight of 302.17 g/mol, XLogP of 1.60, 3 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)piperidin-2-yl]methanol is sourced from PubChem (CID 106998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).