4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine

C14H16BrN5 — CID 126901358

IUPAC4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
SMILESCc1cc(N2CC(n3cc(Br)cn3)C2)nc(C2CC2)n1
InChIInChI=1S/C14H16BrN5/c1-9-4-13(18-14(17-9)10-2-3-10)19-7-12(8-19)20-6-11(15)5-16-20/h4-6,10,12H,2-3,7-8H2,1H3
InChIKeyYSZWUHRFHJGGJI-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.68
Rot. Bonds3

About 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine

4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine (PubChem CID 126901358) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
PubChem CID126901358
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
SMILESCc1cc(N2CC(n3cc(Br)cn3)C2)nc(C2CC2)n1
InChIInChI=1S/C14H16BrN5/c1-9-4-13(18-14(17-9)10-2-3-10)19-7-12(8-19)20-6-11(15)5-16-20/h4-6,10,12H,2-3,7-8H2,1H3
InChIKeyYSZWUHRFHJGGJI-UHFFFAOYSA-N
XLogP2.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine?
The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine (CID 126901358) is 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine.
What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine?
The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine is Cc1cc(N2CC(n3cc(Br)cn3)C2)nc(C2CC2)n1.
What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine?
The InChIKey is YSZWUHRFHJGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-9-4-13(18-14(17-9)10-2-3-10)19-7-12(8-19)20-6-11(15)5-16-20/h4-6,10,12H,2-3,7-8H2,1H3.
What are the key properties of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine?
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine has a molecular weight of 334.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine is sourced from PubChem (CID 126901358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).