N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H17BrFN5 — CID 80994887

IUPACN-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1Nc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN5/c1-7(2)12-19-13(8(3)14(20-12)21-17)18-11-6-9(15)4-5-10(11)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyQSZKJTYIVKADPG-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.84
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80994887) has the molecular formula C14H17BrFN5 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80994887
Molecular FormulaC14H17BrFN5
Molecular Weight354.23 g/mol
Exact Mass353.07
IUPAC NameN-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1Nc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN5/c1-7(2)12-19-13(8(3)14(20-12)21-17)18-11-6-9(15)4-5-10(11)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyQSZKJTYIVKADPG-UHFFFAOYSA-N
XLogP3.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.84
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-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-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

N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107639591
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006258
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442
(6-bromo-2-propan-2-ylquinazolin-4-yl)hydrazine
CID 106583906
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80994887) is N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QSZKJTYIVKADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN5/c1-7(2)12-19-13(8(3)14(20-12)21-17)18-11-6-9(15)4-5-10(11)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 354.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80994887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).