(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

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Related Compounds

(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one
CID 159004367
(4R)-4-[4-[(3R)-1-[2-[ethyl(propan-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158709776
(4R)-4-[4-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]oxyphenyl]pentan-2-one
CID 157482261
4-[4-[1-[2-(ethylamino)pyrimidin-5-yl]azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158419008
(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 157334363
3-[3-[4-[(2R)-4-oxopentan-2-yl]phenoxy]pyrrolidin-1-yl]-6-propoxypyridine-2-carbonitrile
CID 161374342
(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158599945
(4R)-4-[4-[(3R)-1-[2-(1,4-oxazepan-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 153063570
4-[4-[1-(4-cyclopentyloxyphenyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158241695
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one;(4R)-4-[4-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 160796338
(4R)-4-[4-[(3R)-1-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 160606281
(4R)-4-[4-[(3R)-1-[2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 160680715

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).