2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine

C23H24F2N4 — CID 112925852

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(F)cccc2F)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H24F2N4/c1-16-14-21(27-22-19(24)8-5-9-20(22)25)28-23(26-16)29-12-10-18(11-13-29)15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15H2,1H3,(H,26,27,28)
InChIKeyQWYGJIOQZJAMFA-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.27
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 112925852) has the molecular formula C23H24F2N4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
PubChem CID112925852
Molecular FormulaC23H24F2N4
Molecular Weight394.47 g/mol
Exact Mass394.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(F)cccc2F)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H24F2N4/c1-16-14-21(27-22-19(24)8-5-9-20(22)25)28-23(26-16)29-12-10-18(11-13-29)15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15H2,1H3,(H,26,27,28)
InChIKeyQWYGJIOQZJAMFA-UHFFFAOYSA-N
XLogP5.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
CID 112900822
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112925851
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine (CID 112925852) is 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2c(F)cccc2F)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is QWYGJIOQZJAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4/c1-16-14-21(27-22-19(24)8-5-9-20(22)25)28-23(26-16)29-12-10-18(11-13-29)15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15H2,1H3,(H,26,27,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 394.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112925852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).