(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine

C16H21F3N4 — CID 71156008

IUPAC(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESC=c1c(N2CCNCC2)nc(C(F)(F)F)n/c1=C/C=C(\C)CC
InChIInChI=1S/C16H21F3N4/c1-4-11(2)5-6-13-12(3)14(23-9-7-20-8-10-23)22-15(21-13)16(17,18)19/h5-6,20H,3-4,7-10H2,1-2H3/b11-5+,13-6+
InChIKeyHTHPCLXVSQQVNR-LRPJOWSMSA-N
MW326.37 g/mol
LogP1.45
Rot. Bonds3

About (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine

(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 71156008) has the molecular formula C16H21F3N4 and a molecular weight of 326.37 g/mol. Its IUPAC name is (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
PubChem CID71156008
Molecular FormulaC16H21F3N4
Molecular Weight326.37 g/mol
Exact Mass326.17
IUPAC Name(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESC=c1c(N2CCNCC2)nc(C(F)(F)F)n/c1=C/C=C(\C)CC
InChIInChI=1S/C16H21F3N4/c1-4-11(2)5-6-13-12(3)14(23-9-7-20-8-10-23)22-15(21-13)16(17,18)19/h5-6,20H,3-4,7-10H2,1-2H3/b11-5+,13-6+
InChIKeyHTHPCLXVSQQVNR-LRPJOWSMSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine (CID 71156008) is (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine is C=c1c(N2CCNCC2)nc(C(F)(F)F)n/c1=C/C=C(\C)CC.
What is the InChIKey of (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is HTHPCLXVSQQVNR-LRPJOWSMSA-N. The full InChI is InChI=1S/C16H21F3N4/c1-4-11(2)5-6-13-12(3)14(23-9-7-20-8-10-23)22-15(21-13)16(17,18)19/h5-6,20H,3-4,7-10H2,1-2H3/b11-5+,13-6+.
What are the key properties of (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 326.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71156008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).