6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine

C20H19ClFN5 — CID 156866075

IUPAC6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESF[C@@H]1CNCC[C@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H19ClFN5/c21-15-5-3-13(4-6-15)18-10-19(25-17-7-9-24-12-16(17)22)27-20(26-18)14-2-1-8-23-11-14/h1-6,8,10-11,16-17,24H,7,9,12H2,(H,25,26,27)/t16-,17-/m1/s1
InChIKeyWGTVAJJFGQTYDW-IAGOWNOFSA-N
MW383.86 g/mol
LogP3.97
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine

6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 156866075) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID156866075
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC Name6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESF[C@@H]1CNCC[C@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H19ClFN5/c21-15-5-3-13(4-6-15)18-10-19(25-17-7-9-24-12-16(17)22)27-20(26-18)14-2-1-8-23-11-14/h1-6,8,10-11,16-17,24H,7,9,12H2,(H,25,26,27)/t16-,17-/m1/s1
InChIKeyWGTVAJJFGQTYDW-IAGOWNOFSA-N
XLogP3.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
CID 156865946
6-(4-chlorophenyl)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866009
N-piperidin-3-yl-2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56768481
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156865932
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
CID 156866263
[(3S,4S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]methanol
CID 156866281
N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 56768486
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 56767060

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine (CID 156866075) is 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine is F[C@@H]1CNCC[C@H]1Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is WGTVAJJFGQTYDW-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H19ClFN5/c21-15-5-3-13(4-6-15)18-10-19(25-17-7-9-24-12-16(17)22)27-20(26-18)14-2-1-8-23-11-14/h1-6,8,10-11,16-17,24H,7,9,12H2,(H,25,26,27)/t16-,17-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine?
6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 383.86 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 156866075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).