N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

C21H22FN5O2S — CID 110265538

IUPACN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(S(=O)(=O)N2CCCC(c3cccc(Nc4ncccn4)n3)C2)ccc1F
InChIInChI=1S/C21H22FN5O2S/c1-15-13-17(8-9-18(15)22)30(28,29)27-12-3-5-16(14-27)19-6-2-7-20(25-19)26-21-23-10-4-11-24-21/h2,4,6-11,13,16H,3,5,12,14H2,1H3,(H,23,24,25,26)
InChIKeyRZPUSXJOMFIHFG-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.63
Rot. Bonds5

About N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110265538) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110265538
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC NameN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(S(=O)(=O)N2CCCC(c3cccc(Nc4ncccn4)n3)C2)ccc1F
InChIInChI=1S/C21H22FN5O2S/c1-15-13-17(8-9-18(15)22)30(28,29)27-12-3-5-16(14-27)19-6-2-7-20(25-19)26-21-23-10-4-11-24-21/h2,4,6-11,13,16H,3,5,12,14H2,1H3,(H,23,24,25,26)
InChIKeyRZPUSXJOMFIHFG-UHFFFAOYSA-N
XLogP3.63
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110268414
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110265009
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985108
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 155985087
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110265538) is N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1cc(S(=O)(=O)N2CCCC(c3cccc(Nc4ncccn4)n3)C2)ccc1F.
What is the InChIKey of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is RZPUSXJOMFIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-15-13-17(8-9-18(15)22)30(28,29)27-12-3-5-16(14-27)19-6-2-7-20(25-19)26-21-23-10-4-11-24-21/h2,4,6-11,13,16H,3,5,12,14H2,1H3,(H,23,24,25,26).
What are the key properties of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110265538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).