6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C23H26FN5 — CID 92606953

IUPAC6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN(C)c1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)19-6-4-10-25-15-19)18-8-11-29(12-9-18)16-17-5-3-7-20(24)13-17/h3-7,10,13-15,18H,8-9,11-12,16H2,1-2H3
InChIKeyYPYCXLRSTLEQIT-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.12
Rot. Bonds5

About 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92606953) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID92606953
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN(C)c1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)19-6-4-10-25-15-19)18-8-11-29(12-9-18)16-17-5-3-7-20(24)13-17/h3-7,10,13-15,18H,8-9,11-12,16H2,1-2H3
InChIKeyYPYCXLRSTLEQIT-UHFFFAOYSA-N
XLogP4.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606935
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 92607004
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 124960098
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 125018904
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
6-[(3R)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606924
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 92606953) is 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is CN(C)c1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YPYCXLRSTLEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)19-6-4-10-25-15-19)18-8-11-29(12-9-18)16-17-5-3-7-20(24)13-17/h3-7,10,13-15,18H,8-9,11-12,16H2,1-2H3.
What are the key properties of 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92606953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).