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

C20H27FN6 — CID 89446612

IUPAC6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C20H27FN6/c21-17-5-3-16(4-6-17)18(14-25-7-1-2-8-25)26-9-11-27(12-10-26)20-13-19(22)23-15-24-20/h3-6,13,15,18H,1-2,7-12,14H2,(H2,22,23,24)
InChIKeyQTNXQGPDTJDWLZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.16
Rot. Bonds5

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

6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 89446612) has the molecular formula C20H27FN6 and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID89446612
Molecular FormulaC20H27FN6
Molecular Weight370.48 g/mol
Exact Mass370.23
IUPAC Name6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C20H27FN6/c21-17-5-3-16(4-6-17)18(14-25-7-1-2-8-25)26-9-11-27(12-10-26)20-13-19(22)23-15-24-20/h3-6,13,15,18H,1-2,7-12,14H2,(H2,22,23,24)
InChIKeyQTNXQGPDTJDWLZ-UHFFFAOYSA-N
XLogP2.16
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (CID 89446612) is 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QTNXQGPDTJDWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6/c21-17-5-3-16(4-6-17)18(14-25-7-1-2-8-25)26-9-11-27(12-10-26)20-13-19(22)23-15-24-20/h3-6,13,15,18H,1-2,7-12,14H2,(H2,22,23,24).
What are the key properties of 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89446612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).