1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol

C10H14BrN3O — CID 66319738

IUPAC1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-2-3-10(15)5-14(6-10)9-8(11)4-12-7-13-9/h4,7,15H,2-3,5-6H2,1H3
InChIKeyWEECLDJBHDTLDV-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol

1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol (PubChem CID 66319738) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol
PubChem CID66319738
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-2-3-10(15)5-14(6-10)9-8(11)4-12-7-13-9/h4,7,15H,2-3,5-6H2,1H3
InChIKeyWEECLDJBHDTLDV-UHFFFAOYSA-N
XLogP1.59
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol (CID 66319738) is 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol is CCCC1(O)CN(c2ncncc2Br)C1.
What is the InChIKey of 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol?
The InChIKey is WEECLDJBHDTLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-3-10(15)5-14(6-10)9-8(11)4-12-7-13-9/h4,7,15H,2-3,5-6H2,1H3.
What are the key properties of 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol?
1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol has a molecular weight of 272.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol is sourced from PubChem (CID 66319738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).