6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

C14H16FN5 — CID 78929785

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2,(H2,16,17,18)
InChIKeyGKYLZDHMZCKGND-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.52
Rot. Bonds2

About 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 78929785) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID78929785
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2,(H2,16,17,18)
InChIKeyGKYLZDHMZCKGND-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 78929785) is 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is GKYLZDHMZCKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-9-13(16)17-10-18-14/h1-4,9-10H,5-8H2,(H2,16,17,18).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 273.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 78929785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).