2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine

C15H16BrN3O — CID 116893294

IUPAC2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C2CNC2)n1
InChIInChI=1S/C15H16BrN3O/c1-9-5-13(19-15(18-9)10-7-17-8-10)12-6-11(16)3-4-14(12)20-2/h3-6,10,17H,7-8H2,1-2H3
InChIKeyCSFQCYRDBSPFLI-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.91
Rot. Bonds3

About 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine

2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine (PubChem CID 116893294) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
PubChem CID116893294
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C2CNC2)n1
InChIInChI=1S/C15H16BrN3O/c1-9-5-13(19-15(18-9)10-7-17-8-10)12-6-11(16)3-4-14(12)20-2/h3-6,10,17H,7-8H2,1-2H3
InChIKeyCSFQCYRDBSPFLI-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892702
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170
2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
CID 116898706
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
5-(5-bromo-2-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62220801

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine (CID 116893294) is 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine is COc1ccc(Br)cc1-c1cc(C)nc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine?
The InChIKey is CSFQCYRDBSPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9-5-13(19-15(18-9)10-7-17-8-10)12-6-11(16)3-4-14(12)20-2/h3-6,10,17H,7-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine?
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine has a molecular weight of 334.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 116893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).