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

C15H13F3N4O — CID 141199089

IUPAC4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cccc2oc3c(N4CCNCC4)ncnc3c12
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-10-11(9)12-13(23-10)14(21-8-20-12)22-6-4-19-5-7-22/h1-3,8,19H,4-7H2
InChIKeyXQFYFXNGJLUIEJ-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.80
Rot. Bonds1

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

4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 141199089) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID141199089
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cccc2oc3c(N4CCNCC4)ncnc3c12
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-10-11(9)12-13(23-10)14(21-8-20-12)22-6-4-19-5-7-22/h1-3,8,19H,4-7H2
InChIKeyXQFYFXNGJLUIEJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (CID 141199089) is 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is FC(F)(F)c1cccc2oc3c(N4CCNCC4)ncnc3c12.
What is the InChIKey of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is XQFYFXNGJLUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-10-11(9)12-13(23-10)14(21-8-20-12)22-6-4-19-5-7-22/h1-3,8,19H,4-7H2.
What are the key properties of 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 322.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 141199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).