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

C23H26FN5 — CID 92607004

IUPAC6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCN(C)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)18-8-10-25-11-9-18)19-6-4-12-29(16-19)15-17-5-3-7-20(24)13-17/h3,5,7-11,13-14,19H,4,6,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeySRODBANAAFVVCH-IBGZPJMESA-N
MW391.49 g/mol
LogP4.12
Rot. Bonds5

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

6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 92607004) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID92607004
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCN(C)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)18-8-10-25-11-9-18)19-6-4-12-29(16-19)15-17-5-3-7-20(24)13-17/h3,5,7-11,13-14,19H,4,6,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeySRODBANAAFVVCH-IBGZPJMESA-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

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

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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-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606953
N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 92607008
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 124960098
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601
6-[(3R)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606924
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 125018904

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 92607004) is 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is CN(C)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is SRODBANAAFVVCH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26FN5/c1-28(2)22-14-21(26-23(27-22)18-8-10-25-11-9-18)19-6-4-12-29(16-19)15-17-5-3-7-20(24)13-17/h3,5,7-11,13-14,19H,4,6,12,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-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-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 92607004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).