4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine

C11H10BrF3N6 — CID 80909095

IUPAC4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C11H10BrF3N6/c12-7-2-1-5(3-6(7)11(13,14)15)18-8-4-9(21-17)20-10(16)19-8/h1-4H,17H2,(H4,16,18,19,20,21)
InChIKeyCXKWDDGKPGEMJD-UHFFFAOYSA-N
MW363.14 g/mol
LogP2.87
Rot. Bonds3

About 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80909095) has the molecular formula C11H10BrF3N6 and a molecular weight of 363.14 g/mol. Its IUPAC name is 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80909095
Molecular FormulaC11H10BrF3N6
Molecular Weight363.14 g/mol
Exact Mass362.01
IUPAC Name4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C11H10BrF3N6/c12-7-2-1-5(3-6(7)11(13,14)15)18-8-4-9(21-17)20-10(16)19-8/h1-4H,17H2,(H4,16,18,19,20,21)
InChIKeyCXKWDDGKPGEMJD-UHFFFAOYSA-N
XLogP2.87
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 52.87
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

N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
CID 80915262
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775897
4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563598
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
2-N-[4-bromo-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 116796985
2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80840633
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80909095) is 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine is NNc1cc(Nc2ccc(Br)c(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is CXKWDDGKPGEMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N6/c12-7-2-1-5(3-6(7)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-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 363.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).