1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine

C10H18F3N5 — CID 159476543

IUPAC1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine
SMILESCN1CCNCC1.NC1N=CC=CN1C(F)(F)F
InChIInChI=1S/C5H6F3N3.C5H12N2/c6-5(7,8)11-3-1-2-10-4(11)9;1-7-4-2-6-3-5-7/h1-4H,9H2;6H,2-5H2,1H3
InChIKeyLWLLQLJIBYTSJC-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.17
Rot. Bonds

About 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine

1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine (PubChem CID 159476543) has the molecular formula C10H18F3N5 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine
PubChem CID159476543
Molecular FormulaC10H18F3N5
Molecular Weight265.28 g/mol
Exact Mass265.15
IUPAC Name1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine
SMILESCN1CCNCC1.NC1N=CC=CN1C(F)(F)F
InChIInChI=1S/C5H6F3N3.C5H12N2/c6-5(7,8)11-3-1-2-10-4(11)9;1-7-4-2-6-3-5-7/h1-4H,9H2;6H,2-5H2,1H3
InChIKeyLWLLQLJIBYTSJC-UHFFFAOYSA-N
XLogP0.17
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-methylpiperazine;1-(trifluoromethyl)-2H-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

1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride
CID 166522984
1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine
CID 166522985
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
1-piperazin-2-yl-2H-pyrimidine
CID 140095537
1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine
CID 140971835
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893
ethane;N-ethenyl-2-fluoroprop-2-en-1-imine;1-methylpiperazine
CID 144179584
N-methylprop-2-en-1-imine;1-[(E)-prop-1-enyl]piperazine
CID 144194951
1-ethenylpiperazine;1-ethenyl-2H-pyrimidine
CID 157266950

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine?
The IUPAC name of 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine (CID 159476543) is 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine?
The canonical SMILES for 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine is CN1CCNCC1.NC1N=CC=CN1C(F)(F)F.
What is the InChIKey of 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine?
The InChIKey is LWLLQLJIBYTSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.C5H12N2/c6-5(7,8)11-3-1-2-10-4(11)9;1-7-4-2-6-3-5-7/h1-4H,9H2;6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine?
1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine has a molecular weight of 265.28 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine is sourced from PubChem (CID 159476543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).