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

C22H22F2N4 — CID 112900822

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(F)c1Nc1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H22F2N4/c23-18-7-4-8-19(24)21(18)26-20-9-12-25-22(27-20)28-13-10-17(11-14-28)15-16-5-2-1-3-6-16/h1-9,12,17H,10-11,13-15H2,(H,25,26,27)
InChIKeyFQCOQVPHEBCGNL-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.96
Rot. Bonds5

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

2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine (PubChem CID 112900822) has the molecular formula C22H22F2N4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
PubChem CID112900822
Molecular FormulaC22H22F2N4
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(F)c1Nc1ccnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H22F2N4/c23-18-7-4-8-19(24)21(18)26-20-9-12-25-22(27-20)28-13-10-17(11-14-28)15-16-5-2-1-3-6-16/h1-9,12,17H,10-11,13-15H2,(H,25,26,27)
InChIKeyFQCOQVPHEBCGNL-UHFFFAOYSA-N
XLogP4.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 112894699
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
ethyl 4-[4-(2,6-difluoroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898067
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine (CID 112900822) is 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine is Fc1cccc(F)c1Nc1ccnc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine?
The InChIKey is FQCOQVPHEBCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4/c23-18-7-4-8-19(24)21(18)26-20-9-12-25-22(27-20)28-13-10-17(11-14-28)15-16-5-2-1-3-6-16/h1-9,12,17H,10-11,13-15H2,(H,25,26,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine has a molecular weight of 380.44 g/mol, XLogP of 4.96, 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)pyrimidin-4-amine is sourced from PubChem (CID 112900822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).