2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C11H10F3N5 — CID 80927624

IUPAC2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNNc1nccc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-2-1-3-8(6-7)17-9-4-5-16-10(18-9)19-15/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyCZVPCBRFBRPNLA-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.52
Rot. Bonds3

About 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80927624) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80927624
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNNc1nccc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-2-1-3-8(6-7)17-9-4-5-16-10(18-9)19-15/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyCZVPCBRFBRPNLA-UHFFFAOYSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-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-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide
CID 174733828
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
3,3-dimethyl-N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]butanamide
CID 71472549
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112895537
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
4-N-(3-phenylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899308
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80927624) is 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is NNc1nccc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CZVPCBRFBRPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)7-2-1-3-8(6-7)17-9-4-5-16-10(18-9)19-15/h1-6H,15H2,(H2,16,17,18,19).
What are the key properties of 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 269.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80927624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).