N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine

C23H25N5 — CID 112898562

IUPACN-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,24,25,26)/b10-7+
InChIKeyQLDOYPVIVPIALG-JXMROGBWSA-N
MW371.49 g/mol
LogP4.06
Rot. Bonds6

About N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine

N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112898562) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID112898562
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC NameN-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,24,25,26)/b10-7+
InChIKeyQLDOYPVIVPIALG-JXMROGBWSA-N
XLogP4.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112898580
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
CID 112939742
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (CID 112898562) is N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is C(=C/c1ccccc1)\CN1CCN(c2ccnc(Nc3ccccc3)n2)CC1.
What is the InChIKey of N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is QLDOYPVIVPIALG-JXMROGBWSA-N. The full InChI is InChI=1S/C23H25N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,24,25,26)/b10-7+.
What are the key properties of N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 371.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112898562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).