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

C15H18FN5 — CID 56724718

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H18FN5/c1-11-10-14(17)19-15(18-11)21-8-6-20(7-9-21)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H2,17,18,19)
InChIKeyDVRZUBQOOLPXPF-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.83
Rot. Bonds2

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 56724718) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID56724718
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H18FN5/c1-11-10-14(17)19-15(18-11)21-8-6-20(7-9-21)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H2,17,18,19)
InChIKeyDVRZUBQOOLPXPF-UHFFFAOYSA-N
XLogP1.83
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (CID 56724718) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is DVRZUBQOOLPXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-11-10-14(17)19-15(18-11)21-8-6-20(7-9-21)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H2,17,18,19).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 56724718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).