4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine

C20H20FN5 — CID 110267126

IUPAC4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(CN2CCCC2c2ccnc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C20H20FN5/c21-16-8-6-15(7-9-16)14-26-13-3-4-18(26)17-10-12-23-20(24-17)25-19-5-1-2-11-22-19/h1-2,5-12,18H,3-4,13-14H2,(H,22,23,24,25)
InChIKeyXKDNUISMDLSFCW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.09
Rot. Bonds5

About 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine

4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 110267126) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID110267126
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(CN2CCCC2c2ccnc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C20H20FN5/c21-16-8-6-15(7-9-16)14-26-13-3-4-18(26)17-10-12-23-20(24-17)25-19-5-1-2-11-22-19/h1-2,5-12,18H,3-4,13-14H2,(H,22,23,24,25)
InChIKeyXKDNUISMDLSFCW-UHFFFAOYSA-N
XLogP4.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 110267405
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
4-[(3R)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 124958092
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine (CID 110267126) is 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine is Fc1ccc(CN2CCCC2c2ccnc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is XKDNUISMDLSFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-16-8-6-15(7-9-16)14-26-13-3-4-18(26)17-10-12-23-20(24-17)25-19-5-1-2-11-22-19/h1-2,5-12,18H,3-4,13-14H2,(H,22,23,24,25).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 349.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 110267126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).