5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine

C19H21FN6O2S — CID 110267000

IUPAC5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-8-3-2-7-16(26)18-15(10-22-19(21)24-18)13-5-4-6-14(20)9-13/h4-6,9-12,16H,2-3,7-8H2,1H3,(H2,21,22,24)
InChIKeyCYQFGZSVPSFEPT-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.51
Rot. Bonds4

About 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine

5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine (PubChem CID 110267000) has the molecular formula C19H21FN6O2S and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
PubChem CID110267000
Molecular FormulaC19H21FN6O2S
Molecular Weight416.48 g/mol
Exact Mass416.14
IUPAC Name5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-8-3-2-7-16(26)18-15(10-22-19(21)24-18)13-5-4-6-14(20)9-13/h4-6,9-12,16H,2-3,7-8H2,1H3,(H2,21,22,24)
InChIKeyCYQFGZSVPSFEPT-UHFFFAOYSA-N
XLogP2.51
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95837184
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
2-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95836792

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine (CID 110267000) is 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine is Cn1cnc(S(=O)(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The InChIKey is CYQFGZSVPSFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-8-3-2-7-16(26)18-15(10-22-19(21)24-18)13-5-4-6-14(20)9-13/h4-6,9-12,16H,2-3,7-8H2,1H3,(H2,21,22,24).
What are the key properties of 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine has a molecular weight of 416.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110267000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).