8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine

C16H14ClF3N4O — CID 11682208

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3
InChIKeyUUCRANZICWLCDT-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.80
Rot. Bonds1

About 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine

8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 11682208) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID11682208
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3
InChIKeyUUCRANZICWLCDT-UHFFFAOYSA-N
XLogP3.80
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (CID 11682208) is 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is CN1CCN(c2nc(C(F)(F)F)nc3c2oc2ccc(Cl)cc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is UUCRANZICWLCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 370.76 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 11682208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).