5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

C20H19FN4 — CID 99939665

IUPAC5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESFc1ccc([C@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H19FN4/c21-17-8-6-16(7-9-17)19-5-3-11-25(19)14-15-12-23-20(24-13-15)18-4-1-2-10-22-18/h1-2,4,6-10,12-13,19H,3,5,11,14H2/t19-/m1/s1
InChIKeyYFOBINHLHRNNMB-LJQANCHMSA-N
MW334.40 g/mol
LogP4.01
Rot. Bonds4

About 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 99939665) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
PubChem CID99939665
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESFc1ccc([C@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H19FN4/c21-17-8-6-16(7-9-17)19-5-3-11-25(19)14-15-12-23-20(24-13-15)18-4-1-2-10-22-18/h1-2,4,6-10,12-13,19H,3,5,11,14H2/t19-/m1/s1
InChIKeyYFOBINHLHRNNMB-LJQANCHMSA-N
XLogP4.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 135118843
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine
CID 121302715
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine
CID 99950270
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 124852106
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (CID 99939665) is 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is Fc1ccc([C@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1.
What is the InChIKey of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is YFOBINHLHRNNMB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-8-6-16(7-9-17)19-5-3-11-25(19)14-15-12-23-20(24-13-15)18-4-1-2-10-22-18/h1-2,4,6-10,12-13,19H,3,5,11,14H2/t19-/m1/s1.
What are the key properties of 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 334.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 99939665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).