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

C24H24F2N4O — CID 110267007

IUPAC1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESNc1ncc(-c2ccccc2F)c(C2CCCCN2C(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C24H24F2N4O/c25-17-11-8-16(9-12-17)10-13-22(31)30-14-4-3-7-21(30)23-19(15-28-24(27)29-23)18-5-1-2-6-20(18)26/h1-2,5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,(H2,27,28,29)
InChIKeyFGYLYHIHVZHGFC-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.69
Rot. Bonds5

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

1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one (PubChem CID 110267007) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID110267007
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESNc1ncc(-c2ccccc2F)c(C2CCCCN2C(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C24H24F2N4O/c25-17-11-8-16(9-12-17)10-13-22(31)30-14-4-3-7-21(30)23-19(15-28-24(27)29-23)18-5-1-2-6-20(18)26/h1-2,5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,(H2,27,28,29)
InChIKeyFGYLYHIHVZHGFC-UHFFFAOYSA-N
XLogP4.69
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837207
1-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110253077
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95827720
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95836966
1-[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837208
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95836937
1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110266954
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
1-[(2S)-2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95814968
[(2S)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95837127

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one (CID 110267007) is 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one is Nc1ncc(-c2ccccc2F)c(C2CCCCN2C(=O)CCc2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is FGYLYHIHVZHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c25-17-11-8-16(9-12-17)10-13-22(31)30-14-4-3-7-21(30)23-19(15-28-24(27)29-23)18-5-1-2-6-20(18)26/h1-2,5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,(H2,27,28,29).
What are the key properties of 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one has a molecular weight of 422.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 110267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).