(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone

C20H23N3O3 — CID 132764912

IUPAC(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-2-6-17(7-3-14)26-13-20(25)8-9-23(12-20)19(24)16-10-21-18(22-11-16)15-4-5-15/h2-3,6-7,10-11,15,25H,4-5,8-9,12-13H2,1H3
InChIKeyZWVOIWYXOSZRHN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.32
Rot. Bonds5

About (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone (PubChem CID 132764912) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
PubChem CID132764912
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-2-6-17(7-3-14)26-13-20(25)8-9-23(12-20)19(24)16-10-21-18(22-11-16)15-4-5-15/h2-3,6-7,10-11,15,25H,4-5,8-9,12-13H2,1H3
InChIKeyZWVOIWYXOSZRHN-UHFFFAOYSA-N
XLogP2.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 155991377
1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
CID 171758962
[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 132777180
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
(3-fluorophenyl)-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 132649138
2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764303
2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132775743
1-[3-hydroxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132765130
(1-ethylpyrazol-4-yl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155990843
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone (CID 132764912) is (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone is Cc1ccc(OCC2(O)CCN(C(=O)c3cnc(C4CC4)nc3)C2)cc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is ZWVOIWYXOSZRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-2-6-17(7-3-14)26-13-20(25)8-9-23(12-20)19(24)16-10-21-18(22-11-16)15-4-5-15/h2-3,6-7,10-11,15,25H,4-5,8-9,12-13H2,1H3.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 132764912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).