(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine

C20H26FN5 — CID 178156374

IUPAC(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine
SMILESC=C1N=C(c2ccc(F)cc2)C=C(N2CCNCC2)N1/N=C\CCCC
InChIInChI=1S/C20H26FN5/c1-3-4-5-10-23-26-16(2)24-19(17-6-8-18(21)9-7-17)15-20(26)25-13-11-22-12-14-25/h6-10,15,22H,2-5,11-14H2,1H3/b23-10-
InChIKeyFWHPOIWLHFCQOA-RMORIDSASA-N
MW355.46 g/mol
LogP3.32
Rot. Bonds6

About (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine

(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine (PubChem CID 178156374) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine.

Molecular Properties

Compound Name(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine
PubChem CID178156374
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine
SMILESC=C1N=C(c2ccc(F)cc2)C=C(N2CCNCC2)N1/N=C\CCCC
InChIInChI=1S/C20H26FN5/c1-3-4-5-10-23-26-16(2)24-19(17-6-8-18(21)9-7-17)15-20(26)25-13-11-22-12-14-25/h6-10,15,22H,2-5,11-14H2,1H3/b23-10-
InChIKeyFWHPOIWLHFCQOA-RMORIDSASA-N
XLogP3.32
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine?
The IUPAC name of (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine (CID 178156374) is (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine.
What is the SMILES notation for (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine?
The canonical SMILES for (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine is C=C1N=C(c2ccc(F)cc2)C=C(N2CCNCC2)N1/N=C\CCCC.
What is the InChIKey of (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine?
The InChIKey is FWHPOIWLHFCQOA-RMORIDSASA-N. The full InChI is InChI=1S/C20H26FN5/c1-3-4-5-10-23-26-16(2)24-19(17-6-8-18(21)9-7-17)15-20(26)25-13-11-22-12-14-25/h6-10,15,22H,2-5,11-14H2,1H3/b23-10-.
What are the key properties of (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine?
(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine has a molecular weight of 355.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine is sourced from PubChem (CID 178156374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).