N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline

C19H25N5 — CID 30981978

IUPACN,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5/c1-22(2)18-8-6-17(7-9-18)5-3-12-23-13-15-24(16-14-23)19-20-10-4-11-21-19/h3-11H,12-16H2,1-2H3/b5-3+
InChIKeyPTOFDXIDYVBFRR-HWKANZROSA-N
MW323.44 g/mol
LogP2.38
Rot. Bonds5

About N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline

N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline (PubChem CID 30981978) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
PubChem CID30981978
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5/c1-22(2)18-8-6-17(7-9-18)5-3-12-23-13-15-24(16-14-23)19-20-10-4-11-21-19/h3-11H,12-16H2,1-2H3/b5-3+
InChIKeyPTOFDXIDYVBFRR-HWKANZROSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
CID 44587383
4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
CID 2845639
4-(4-bromophenyl)-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
CID 30981687
N-[4-(dimethylamino)phenyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108951025
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108860
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295386
1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 136543268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline (CID 30981978) is N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline is CN(C)c1ccc(/C=C/CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline?
The InChIKey is PTOFDXIDYVBFRR-HWKANZROSA-N. The full InChI is InChI=1S/C19H25N5/c1-22(2)18-8-6-17(7-9-18)5-3-12-23-13-15-24(16-14-23)19-20-10-4-11-21-19/h3-11H,12-16H2,1-2H3/b5-3+.
What are the key properties of N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline?
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline has a molecular weight of 323.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline is sourced from PubChem (CID 30981978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).