4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine

C11H10ClF3N6 — CID 80911630

IUPAC4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H10ClF3N6/c12-5-1-2-7(6(3-5)11(13,14)15)18-8-4-9(21-17)20-10(16)19-8/h1-4H,17H2,(H4,16,18,19,20,21)
InChIKeyGANRVPUMJQVOPW-UHFFFAOYSA-N
MW318.69 g/mol
LogP2.76
Rot. Bonds3

About 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80911630) has the molecular formula C11H10ClF3N6 and a molecular weight of 318.69 g/mol. Its IUPAC name is 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80911630
Molecular FormulaC11H10ClF3N6
Molecular Weight318.69 g/mol
Exact Mass318.06
IUPAC Name4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H10ClF3N6/c12-5-1-2-7(6(3-5)11(13,14)15)18-8-4-9(21-17)20-10(16)19-8/h1-4H,17H2,(H4,16,18,19,20,21)
InChIKeyGANRVPUMJQVOPW-UHFFFAOYSA-N
XLogP2.76
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107639573
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924847
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80911630) is 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine is NNc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is GANRVPUMJQVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6/c12-5-1-2-7(6(3-5)11(13,14)15)18-8-4-9(21-17)20-10(16)19-8/h1-4H,17H2,(H4,16,18,19,20,21).
What are the key properties of 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 318.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80911630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).