5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine

C13H13BrN4O — CID 146079539

IUPAC5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine
SMILESCc1cc(OC2CN(c3ncc(Br)cn3)C2)ccn1
InChIInChI=1S/C13H13BrN4O/c1-9-4-11(2-3-15-9)19-12-7-18(8-12)13-16-5-10(14)6-17-13/h2-6,12H,7-8H2,1H3
InChIKeyTUYCUIUPGDWJKD-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.21
Rot. Bonds3

About 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine

5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine (PubChem CID 146079539) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine
PubChem CID146079539
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine
SMILESCc1cc(OC2CN(c3ncc(Br)cn3)C2)ccn1
InChIInChI=1S/C13H13BrN4O/c1-9-4-11(2-3-15-9)19-12-7-18(8-12)13-16-5-10(14)6-17-13/h2-6,12H,7-8H2,1H3
InChIKeyTUYCUIUPGDWJKD-UHFFFAOYSA-N
XLogP2.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine (CID 146079539) is 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine is Cc1cc(OC2CN(c3ncc(Br)cn3)C2)ccn1.
What is the InChIKey of 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine?
The InChIKey is TUYCUIUPGDWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-9-4-11(2-3-15-9)19-12-7-18(8-12)13-16-5-10(14)6-17-13/h2-6,12H,7-8H2,1H3.
What are the key properties of 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine?
5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine has a molecular weight of 321.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]pyrimidine is sourced from PubChem (CID 146079539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).