1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol

C11H16BrN3O2 — CID 106998453

IUPAC1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncc(Br)c(OC)n2)C1
InChIInChI=1S/C11H16BrN3O2/c1-3-4-11(16)6-15(7-11)10-13-5-8(12)9(14-10)17-2/h5,16H,3-4,6-7H2,1-2H3
InChIKeyUWTKLQHCCMBYPU-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.60
Rot. Bonds4

About 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol

1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol (PubChem CID 106998453) 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)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol
PubChem CID106998453
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncc(Br)c(OC)n2)C1
InChIInChI=1S/C11H16BrN3O2/c1-3-4-11(16)6-15(7-11)10-13-5-8(12)9(14-10)17-2/h5,16H,3-4,6-7H2,1-2H3
InChIKeyUWTKLQHCCMBYPU-UHFFFAOYSA-N
XLogP1.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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)-3-propylazetidin-3-ol?
The IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol (CID 106998453) is 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol is CCCC1(O)CN(c2ncc(Br)c(OC)n2)C1.
What is the InChIKey of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol?
The InChIKey is UWTKLQHCCMBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-4-11(16)6-15(7-11)10-13-5-8(12)9(14-10)17-2/h5,16H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol?
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-propylazetidin-3-ol has a molecular weight of 302.17 g/mol, XLogP of 1.60, 4 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-propylazetidin-3-ol is sourced from PubChem (CID 106998453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).