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

C19H21FN6O2S — CID 95837184

IUPAC5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-9-3-2-4-16(26)18-15(10-22-19(21)24-18)13-5-7-14(20)8-6-13/h5-8,10-12,16H,2-4,9H2,1H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyPQAQLKQCAKWCBJ-MRXNPFEDSA-N
MW416.48 g/mol
LogP2.51
Rot. Bonds4

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

5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine (PubChem CID 95837184) has the molecular formula C19H21FN6O2S and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
PubChem CID95837184
Molecular FormulaC19H21FN6O2S
Molecular Weight416.48 g/mol
Exact Mass416.14
IUPAC Name5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-9-3-2-4-16(26)18-15(10-22-19(21)24-18)13-5-7-14(20)8-6-13/h5-8,10-12,16H,2-4,9H2,1H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyPQAQLKQCAKWCBJ-MRXNPFEDSA-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-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 110267000
4-(1-benzylsulfonylpyrrolidin-2-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 110253120
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
CID 95814992
5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 110121353
2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
CID 110253051
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine (CID 95837184) is 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine is Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
The InChIKey is PQAQLKQCAKWCBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN6O2S/c1-25-11-17(23-12-25)29(27,28)26-9-3-2-4-16(26)18-15(10-22-19(21)24-18)13-5-7-14(20)8-6-13/h5-8,10-12,16H,2-4,9H2,1H3,(H2,21,22,24)/t16-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine?
5-(4-fluorophenyl)-4-[(2R)-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-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).