[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

C21H25FN4O — CID 95806587

IUPAC[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H25FN4O/c22-17-9-7-14(8-10-17)18-12-24-21(23)25-19(18)16-6-3-11-26(13-16)20(27)15-4-1-2-5-15/h7-10,12,15-16H,1-6,11,13H2,(H2,23,24,25)/t16-/m0/s1
InChIKeyXSUJEWDBQOGYHK-INIZCTEOSA-N
MW368.46 g/mol
LogP3.76
Rot. Bonds3

About [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 95806587) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID95806587
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H25FN4O/c22-17-9-7-14(8-10-17)18-12-24-21(23)25-19(18)16-6-3-11-26(13-16)20(27)15-4-1-2-5-15/h7-10,12,15-16H,1-6,11,13H2,(H2,23,24,25)/t16-/m0/s1
InChIKeyXSUJEWDBQOGYHK-INIZCTEOSA-N
XLogP3.76
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-amino-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 110248872
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248773
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
4-[4-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92617488
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (CID 95806587) is [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is XSUJEWDBQOGYHK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-17-9-7-14(8-10-17)18-12-24-21(23)25-19(18)16-6-3-11-26(13-16)20(27)15-4-1-2-5-15/h7-10,12,15-16H,1-6,11,13H2,(H2,23,24,25)/t16-/m0/s1.
What are the key properties of [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 368.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 95806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).