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

C14H16FN5 — CID 115978112

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-17-6-5-13(16)18-14/h1-6H,7-10H2,(H2,16,17,18)
InChIKeyDZLDEZXRSHUTLE-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.52
Rot. Bonds2

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

2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 115978112) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID115978112
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-17-6-5-13(16)18-14/h1-6H,7-10H2,(H2,16,17,18)
InChIKeyDZLDEZXRSHUTLE-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 115978112) is 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is DZLDEZXRSHUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c15-11-3-1-2-4-12(11)19-7-9-20(10-8-19)14-17-6-5-13(16)18-14/h1-6H,7-10H2,(H2,16,17,18).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
2-[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 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 115978112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).