N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine

C12H14BrN5 — CID 80930313

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(Br)cc(C)c1Nc1ccnc(NN)n1
InChIInChI=1S/C12H14BrN5/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(17-10)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMXWAICOHSLHROW-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.89
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80930313) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80930313
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(Br)cc(C)c1Nc1ccnc(NN)n1
InChIInChI=1S/C12H14BrN5/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(17-10)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMXWAICOHSLHROW-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.89
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-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80930783
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927503
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 72708993
2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
CID 65498815
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80930313) is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1cc(Br)cc(C)c1Nc1ccnc(NN)n1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is MXWAICOHSLHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(17-10)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine?
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).