(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one

C21H27N3O3 — CID 148584743

IUPAC(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1nccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)n1
InChIInChI=1S/C21H27N3O3/c1-4-11-26-21-22-10-9-20(23-21)24-13-19(14-24)27-18-7-5-17(6-8-18)15(2)12-16(3)25/h5-10,15,19H,4,11-14H2,1-3H3/t15-/m1/s1
InChIKeyMZLSEOSPSBKNNA-OAHLLOKOSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds9

About (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one

(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 148584743) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID148584743
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1nccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)n1
InChIInChI=1S/C21H27N3O3/c1-4-11-26-21-22-10-9-20(23-21)24-13-19(14-24)27-18-7-5-17(6-8-18)15(2)12-16(3)25/h5-10,15,19H,4,11-14H2,1-3H3/t15-/m1/s1
InChIKeyMZLSEOSPSBKNNA-OAHLLOKOSA-N
XLogP3.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one (CID 148584743) is (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one is CCCOc1nccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)n1.
What is the InChIKey of (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is MZLSEOSPSBKNNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-11-26-21-22-10-9-20(23-21)24-13-19(14-24)27-18-7-5-17(6-8-18)15(2)12-16(3)25/h5-10,15,19H,4,11-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one?
(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 148584743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).