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

C22H23F2N5 — CID 112894446

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(N2CCN(c3nccc(NCCc4ccccc4F)n3)CC2)cc1
InChIInChI=1S/C22H23F2N5/c23-18-5-7-19(8-6-18)28-13-15-29(16-14-28)22-26-12-10-21(27-22)25-11-9-17-3-1-2-4-20(17)24/h1-8,10,12H,9,11,13-16H2,(H,25,26,27)
InChIKeyCSWDQWFQDFYFBA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.74
Rot. Bonds6

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

N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112894446) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112894446
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(N2CCN(c3nccc(NCCc4ccccc4F)n3)CC2)cc1
InChIInChI=1S/C22H23F2N5/c23-18-5-7-19(8-6-18)28-13-15-29(16-14-28)22-26-12-10-21(27-22)25-11-9-17-3-1-2-4-20(17)24/h1-8,10,12H,9,11,13-16H2,(H,25,26,27)
InChIKeyCSWDQWFQDFYFBA-UHFFFAOYSA-N
XLogP3.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-3839
CID 46202416
SB-220025
CID 5164
Msx-122
CID 11687907
PF-670462
CID 51049607
L-790070
CID 9806182
WZ 811
CID 11565518
Fanotaprim
CID 134812633
Revaprazan
CID 204104
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
Jnj-38893777
CID 16742146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112894446) is N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Fc1ccc(N2CCN(c3nccc(NCCc4ccccc4F)n3)CC2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is CSWDQWFQDFYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c23-18-5-7-19(8-6-18)28-13-15-29(16-14-28)22-26-12-10-21(27-22)25-11-9-17-3-1-2-4-20(17)24/h1-8,10,12H,9,11,13-16H2,(H,25,26,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 395.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112894446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).