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

C22H25FN6 — CID 95837178

IUPAC5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1ncccc1CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C22H25FN6/c1-25-21-16(7-5-10-26-21)14-29-11-3-2-9-19(29)20-18(13-27-22(24)28-20)15-6-4-8-17(23)12-15/h4-8,10,12-13,19H,2-3,9,11,14H2,1H3,(H,25,26)(H2,24,27,28)/t19-/m1/s1
InChIKeyAASUBIBZDYZESD-LJQANCHMSA-N
MW392.48 g/mol
LogP4.03
Rot. Bonds5

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

5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 95837178) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID95837178
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1ncccc1CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C22H25FN6/c1-25-21-16(7-5-10-26-21)14-29-11-3-2-9-19(29)20-18(13-27-22(24)28-20)15-6-4-8-17(23)12-15/h4-8,10,12-13,19H,2-3,9,11,14H2,1H3,(H,25,26)(H2,24,27,28)/t19-/m1/s1
InChIKeyAASUBIBZDYZESD-LJQANCHMSA-N
XLogP4.03
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
2-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95836792
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
5-(3-chlorophenyl)-4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124939630
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 110267000
3-[2-amino-4-[(2R)-1-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 124958408
[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

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine (CID 95837178) is 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine is CNc1ncccc1CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is AASUBIBZDYZESD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN6/c1-25-21-16(7-5-10-26-21)14-29-11-3-2-9-19(29)20-18(13-27-22(24)28-20)15-6-4-8-17(23)12-15/h4-8,10,12-13,19H,2-3,9,11,14H2,1H3,(H,25,26)(H2,24,27,28)/t19-/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine?
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 392.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).