2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine

C15H17N3O — CID 117231356

IUPAC2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
SMILESc1ccc(COc2cnc(CC3CNC3)nc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-14-9-17-15(18-10-14)6-13-7-16-8-13/h1-5,9-10,13,16H,6-8,11H2
InChIKeyUWWUZNQSWBSHRX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.82
Rot. Bonds5

About 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine

2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine (PubChem CID 117231356) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
PubChem CID117231356
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
SMILESc1ccc(COc2cnc(CC3CNC3)nc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-14-9-17-15(18-10-14)6-13-7-16-8-13/h1-5,9-10,13,16H,6-8,11H2
InChIKeyUWWUZNQSWBSHRX-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylazetidine;hydrochloride
CID 54592835
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
1-(5-phenylmethoxypyrimidin-2-yl)-1,4-diazepan-6-ol
CID 146241882
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
CID 153394006
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
4-[(4-phenylmethoxyphenyl)methyl]imidazolidine
CID 174965614
2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
CID 117231420
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-(5-phenylmethoxy-2-pyridinyl)methanone
CID 138030993

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine (CID 117231356) is 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine is c1ccc(COc2cnc(CC3CNC3)nc2)cc1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine?
The InChIKey is UWWUZNQSWBSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-4-12(5-3-1)11-19-14-9-17-15(18-10-14)6-13-7-16-8-13/h1-5,9-10,13,16H,6-8,11H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine?
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine is sourced from PubChem (CID 117231356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).