2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

C24H27FN4 — CID 112894699

IUPAC2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1ccc(CCNc2ccnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H27FN4/c25-22-8-6-19(7-9-22)10-14-26-23-11-15-27-24(28-23)29-16-12-21(13-17-29)18-20-4-2-1-3-5-20/h1-9,11,15,21H,10,12-14,16-18H2,(H,26,27,28)
InChIKeyVJPUSBWUYMBOBO-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.73
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 112894699) has the molecular formula C24H27FN4 and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID112894699
Molecular FormulaC24H27FN4
Molecular Weight390.51 g/mol
Exact Mass390.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1ccc(CCNc2ccnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H27FN4/c25-22-8-6-19(7-9-22)10-14-26-23-11-15-27-24(28-23)29-16-12-21(13-17-29)18-20-4-2-1-3-5-20/h1-9,11,15,21H,10,12-14,16-18H2,(H,26,27,28)
InChIKeyVJPUSBWUYMBOBO-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB-220025
CID 5164
Msx-122
CID 11687907
WZ 811
CID 11565518
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
N-[2-(3-Fluorophenyl)ethyl]-N'-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethane-1,2-Diamine
CID 118656538
4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)-N-phenylpyrimidin-2-amine
CID 9888013
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (CID 112894699) is 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine is Fc1ccc(CCNc2ccnc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is VJPUSBWUYMBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4/c25-22-8-6-19(7-9-22)10-14-26-23-11-15-27-24(28-23)29-16-12-21(13-17-29)18-20-4-2-1-3-5-20/h1-9,11,15,21H,10,12-14,16-18H2,(H,26,27,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 390.51 g/mol, XLogP of 4.73, 7 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-(4-fluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 112894699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).