2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine

C17H21N3O — CID 72860151

IUPAC2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine
SMILESCc1nc(C)c(C)c(N2CC(OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O/c1-12-13(2)18-14(3)19-17(12)20-9-16(10-20)21-11-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3
InChIKeyZEHBNVHUGCAXFA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.81
Rot. Bonds4

About 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine

2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine (PubChem CID 72860151) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine
PubChem CID72860151
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine
SMILESCc1nc(C)c(C)c(N2CC(OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O/c1-12-13(2)18-14(3)19-17(12)20-9-16(10-20)21-11-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3
InChIKeyZEHBNVHUGCAXFA-UHFFFAOYSA-N
XLogP2.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine (CID 72860151) is 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine is Cc1nc(C)c(C)c(N2CC(OCc3ccccc3)C2)n1.
What is the InChIKey of 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine?
The InChIKey is ZEHBNVHUGCAXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-13(2)18-14(3)19-17(12)20-9-16(10-20)21-11-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine?
2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine has a molecular weight of 283.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(3-phenylmethoxyazetidin-1-yl)pyrimidine is sourced from PubChem (CID 72860151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).