4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine

C24H27F2N5 — CID 46953915

IUPAC4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C24H27F2N5/c1-16(2)29-24-28-14-21(18-4-3-9-27-13-18)23(30-24)17-7-10-31(11-8-17)15-19-5-6-20(25)12-22(19)26/h3-6,9,12-14,16-17H,7-8,10-11,15H2,1-2H3,(H,28,29,30)
InChIKeyMSRIIFKUTFEGMV-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.02
Rot. Bonds6

About 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine

4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine (PubChem CID 46953915) has the molecular formula C24H27F2N5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
PubChem CID46953915
Molecular FormulaC24H27F2N5
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C24H27F2N5/c1-16(2)29-24-28-14-21(18-4-3-9-27-13-18)23(30-24)17-7-10-31(11-8-17)15-19-5-6-20(25)12-22(19)26/h3-6,9,12-14,16-17H,7-8,10-11,15H2,1-2H3,(H,28,29,30)
InChIKeyMSRIIFKUTFEGMV-UHFFFAOYSA-N
XLogP5.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
CID 46953921
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
CID 46953910
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 46962196
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415283
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine (CID 46953915) is 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine is CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is MSRIIFKUTFEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5/c1-16(2)29-24-28-14-21(18-4-3-9-27-13-18)23(30-24)17-7-10-31(11-8-17)15-19-5-6-20(25)12-22(19)26/h3-6,9,12-14,16-17H,7-8,10-11,15H2,1-2H3,(H,28,29,30).
What are the key properties of 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine?
4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 423.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 46953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).