N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine

C15H20BrN5 — CID 107639485

IUPACN-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C15H20BrN5/c1-9-10(16)6-5-7-11(9)18-12-8-13(21-17)20-14(19-12)15(2,3)4/h5-8H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyHLVFVBGFFFNCMB-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.87
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine

N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 107639485) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
PubChem CID107639485
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC NameN-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C15H20BrN5/c1-9-10(16)6-5-7-11(9)18-12-8-13(21-17)20-14(19-12)15(2,3)4/h5-8H,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyHLVFVBGFFFNCMB-UHFFFAOYSA-N
XLogP3.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.87
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'}

Analyze N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638612
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine (CID 107639485) is N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine is Cc1c(Br)cccc1Nc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is HLVFVBGFFFNCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-9-10(16)6-5-7-11(9)18-12-8-13(21-17)20-14(19-12)15(2,3)4/h5-8H,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107639485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).