N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H8BrClF3N5 — CID 106775897

IUPACN-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8BrClF3N5/c12-6-3-5(1-2-7(6)13)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyKCYBQTKCYQVXQA-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.94
Rot. Bonds3

About N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775897) has the molecular formula C11H8BrClF3N5 and a molecular weight of 382.57 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775897
Molecular FormulaC11H8BrClF3N5
Molecular Weight382.57 g/mol
Exact Mass380.96
IUPAC NameN-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8BrClF3N5/c12-6-3-5(1-2-7(6)13)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyKCYBQTKCYQVXQA-UHFFFAOYSA-N
XLogP3.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.94
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-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772502
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775922
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107639573
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775897) is N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KCYBQTKCYQVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF3N5/c12-6-3-5(1-2-7(6)13)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21).
What are the key properties of N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 382.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).