2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine

C22H22FN3O3 — CID 56575728

IUPAC2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine
SMILESCOc1ccc(OC)c(C2CCCN2c2nccc(Oc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H22FN3O3/c1-27-17-9-10-20(28-2)18(14-17)19-4-3-13-26(19)22-24-12-11-21(25-22)29-16-7-5-15(23)6-8-16/h5-12,14,19H,3-4,13H2,1-2H3
InChIKeyUVZRXUZNTREWFW-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.77
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine (PubChem CID 56575728) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine
PubChem CID56575728
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine
SMILESCOc1ccc(OC)c(C2CCCN2c2nccc(Oc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H22FN3O3/c1-27-17-9-10-20(28-2)18(14-17)19-4-3-13-26(19)22-24-12-11-21(25-22)29-16-7-5-15(23)6-8-16/h5-12,14,19H,3-4,13H2,1-2H3
InChIKeyUVZRXUZNTREWFW-UHFFFAOYSA-N
XLogP4.77
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenoxy)-2-[2-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 71924502
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 154860103
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51981722
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-fluoro-N-methylanilino)ethanone
CID 60505327
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97314093
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 125140665
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitropyridine
CID 16796297
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 43050422
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine (CID 56575728) is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine is COc1ccc(OC)c(C2CCCN2c2nccc(Oc3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine?
The InChIKey is UVZRXUZNTREWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-27-17-9-10-20(28-2)18(14-17)19-4-3-13-26(19)22-24-12-11-21(25-22)29-16-7-5-15(23)6-8-16/h5-12,14,19H,3-4,13H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine?
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine has a molecular weight of 395.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 56575728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).