4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H14F3N5O — CID 24826443

IUPAC4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)8-2-1-3-9-10(8)11-12(24-9)13(22-14(19)21-11)23-6-4-20-5-7-23/h1-3,20H,4-7H2,(H2,19,21,22)
InChIKeyHDWGNZSHRFNVHN-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.39
Rot. Bonds1

About 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24826443) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24826443
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)8-2-1-3-9-10(8)11-12(24-9)13(22-14(19)21-11)23-6-4-20-5-7-23/h1-3,20H,4-7H2,(H2,19,21,22)
InChIKeyHDWGNZSHRFNVHN-UHFFFAOYSA-N
XLogP2.39
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24826443) is 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1.
What is the InChIKey of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is HDWGNZSHRFNVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-15(17,18)8-2-1-3-9-10(8)11-12(24-9)13(22-14(19)21-11)23-6-4-20-5-7-23/h1-3,20H,4-7H2,(H2,19,21,22).
What are the key properties of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 337.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24826443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).