N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine

C11H9ClF3N5 — CID 80926807

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C11H9ClF3N5/c12-7-2-1-6(11(13,14)15)5-8(7)18-9-3-4-17-10(19-9)20-16/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyCXZMLYPRADSIFM-UHFFFAOYSA-N
MW303.68 g/mol
LogP3.18
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80926807) has the molecular formula C11H9ClF3N5 and a molecular weight of 303.68 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80926807
Molecular FormulaC11H9ClF3N5
Molecular Weight303.68 g/mol
Exact Mass303.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
SMILESNNc1nccc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C11H9ClF3N5/c12-7-2-1-6(11(13,14)15)5-8(7)18-9-3-4-17-10(19-9)20-16/h1-5H,16H2,(H2,17,18,19,20)
InChIKeyCXZMLYPRADSIFM-UHFFFAOYSA-N
XLogP3.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 53.18
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'}

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Related Compounds

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
4-N-butyl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882941
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-pentylpyrimidine-2,4-diamine
CID 112900400
3-[[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112906041
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112902288
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine (CID 80926807) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine is NNc1nccc(Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is CXZMLYPRADSIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5/c12-7-2-1-6(11(13,14)15)5-8(7)18-9-3-4-17-10(19-9)20-16/h1-5H,16H2,(H2,17,18,19,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 303.68 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).