[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

C23H23N3O2 — CID 47803445

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-28-20-12-10-17(11-13-20)21-9-6-14-26(21)23(27)19-15-24-22(25-16-19)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,21H,2,6,9,14H2,1H3
InChIKeyTVRGOTQQTGYTOG-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.52
Rot. Bonds5

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 47803445) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
PubChem CID47803445
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-28-20-12-10-17(11-13-20)21-9-6-14-26(21)23(27)19-15-24-22(25-16-19)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,21H,2,6,9,14H2,1H3
InChIKeyTVRGOTQQTGYTOG-UHFFFAOYSA-N
XLogP4.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 134048762
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (CID 47803445) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is CCOc1ccc(C2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is TVRGOTQQTGYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-28-20-12-10-17(11-13-20)21-9-6-14-26(21)23(27)19-15-24-22(25-16-19)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,21H,2,6,9,14H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 47803445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).