5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine

C10H14BrN3O — CID 102954683

IUPAC5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine
SMILESCC1CCNCC1Oc1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c1-7-2-3-12-5-9(7)15-10-8(11)4-13-6-14-10/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyUFHIAQYMVBNPNU-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.62
Rot. Bonds2

About 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine

5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine (PubChem CID 102954683) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine
PubChem CID102954683
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine
SMILESCC1CCNCC1Oc1ncncc1Br
InChIInChI=1S/C10H14BrN3O/c1-7-2-3-12-5-9(7)15-10-8(11)4-13-6-14-10/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyUFHIAQYMVBNPNU-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine (CID 102954683) is 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine is CC1CCNCC1Oc1ncncc1Br.
What is the InChIKey of 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine?
The InChIKey is UFHIAQYMVBNPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-2-3-12-5-9(7)15-10-8(11)4-13-6-14-10/h4,6-7,9,12H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine?
5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine has a molecular weight of 272.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 102954683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).