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

C22H21FN4O — CID 110266755

IUPAC[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-10-6-9-16(13-17)18-14-25-22(24)26-20(18)19-11-4-5-12-27(19)21(28)15-7-2-1-3-8-15/h1-3,6-10,13-14,19H,4-5,11-12H2,(H2,24,25,26)
InChIKeyISFRIDHNLUPMFF-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.23
Rot. Bonds3

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

[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 110266755) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID110266755
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-10-6-9-16(13-17)18-14-25-22(24)26-20(18)19-11-4-5-12-27(19)21(28)15-7-2-1-3-8-15/h1-3,6-10,13-14,19H,4-5,11-12H2,(H2,24,25,26)
InChIKeyISFRIDHNLUPMFF-UHFFFAOYSA-N
XLogP4.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 110266755) is [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is Nc1ncc(-c2cccc(F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is ISFRIDHNLUPMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-10-6-9-16(13-17)18-14-25-22(24)26-20(18)19-11-4-5-12-27(19)21(28)15-7-2-1-3-8-15/h1-3,6-10,13-14,19H,4-5,11-12H2,(H2,24,25,26).
What are the key properties of [2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 376.44 g/mol, XLogP of 4.23, 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-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110266755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).