[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone

C20H23FN4O — CID 110253139

IUPAC[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c(C2CCCN2C(=O)C2CCCC2)n1
InChIInChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-3-11-25(17)19(26)14-4-1-2-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24)
InChIKeyXRAAIEUZWFNRGD-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.72
Rot. Bonds3

About [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone

[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 110253139) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID110253139
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c(C2CCCN2C(=O)C2CCCC2)n1
InChIInChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-3-11-25(17)19(26)14-4-1-2-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24)
InChIKeyXRAAIEUZWFNRGD-UHFFFAOYSA-N
XLogP3.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110253077
1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837207
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176
2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
CID 110253051

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone (CID 110253139) is [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone is Nc1ncc(-c2ccc(F)cc2)c(C2CCCN2C(=O)C2CCCC2)n1.
What is the InChIKey of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is XRAAIEUZWFNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-3-11-25(17)19(26)14-4-1-2-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24).
What are the key properties of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 354.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110253139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).