5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine

C22H24FN5O2S — CID 110252509

IUPAC5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C22H24FN5O2S/c1-15-8-18(19-11-25-22(24)26-12-19)10-21(27-15)17-5-3-7-28(13-17)31(29,30)14-16-4-2-6-20(23)9-16/h2,4,6,8-12,17H,3,5,7,13-14H2,1H3,(H2,24,25,26)
InChIKeyNFICWKZUBQBDFX-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.28
Rot. Bonds5

About 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine

5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine (PubChem CID 110252509) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
PubChem CID110252509
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC Name5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C22H24FN5O2S/c1-15-8-18(19-11-25-22(24)26-12-19)10-21(27-15)17-5-3-7-28(13-17)31(29,30)14-16-4-2-6-20(23)9-16/h2,4,6,8-12,17H,3,5,7,13-14H2,1H3,(H2,24,25,26)
InChIKeyNFICWKZUBQBDFX-UHFFFAOYSA-N
XLogP3.28
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
CID 121092351
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine (CID 110252509) is 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2)cc(C2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1.
What is the InChIKey of 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is NFICWKZUBQBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-15-8-18(19-11-25-22(24)26-12-19)10-21(27-15)17-5-3-7-28(13-17)31(29,30)14-16-4-2-6-20(23)9-16/h2,4,6,8-12,17H,3,5,7,13-14H2,1H3,(H2,24,25,26).
What are the key properties of 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine?
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 441.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110252509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).