N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C11H8Cl2F3N5 — CID 114567317

IUPACN-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(Nc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N5/c12-5-2-1-3-6(9(5)13)18-8-4-7(11(14,15)16)19-10(20-8)21-17/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyWIUMTDMCDSNCBN-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567317) has the molecular formula C11H8Cl2F3N5 and a molecular weight of 338.12 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567317
Molecular FormulaC11H8Cl2F3N5
Molecular Weight338.12 g/mol
Exact Mass337.01
IUPAC NameN-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(Nc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N5/c12-5-2-1-3-6(9(5)13)18-8-4-7(11(14,15)16)19-10(20-8)21-17/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyWIUMTDMCDSNCBN-UHFFFAOYSA-N
XLogP3.83
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.83
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

N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567408
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720917
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564272
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114567424
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763
4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563666
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
2-hydrazinyl-N-(2-methylcyclopropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567178
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912
[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567317) is N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(Nc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WIUMTDMCDSNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N5/c12-5-2-1-3-6(9(5)13)18-8-4-7(11(14,15)16)19-10(20-8)21-17/h1-4H,17H2,(H2,18,19,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 338.12 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).