N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine

C15H20BrN5 — CID 80963952

IUPACN-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C15H20BrN5/c1-15(2,3)14-19-12(8-13(20-14)21-17)18-9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyFWGUXIJFQANPRX-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.43
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine

N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80963952) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80963952
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC NameN-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C15H20BrN5/c1-15(2,3)14-19-12(8-13(20-14)21-17)18-9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyFWGUXIJFQANPRX-UHFFFAOYSA-N
XLogP3.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.43
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-bromophenyl)methyl]-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-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80969342
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine (CID 80963952) is N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(NCc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is FWGUXIJFQANPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-15(2,3)14-19-12(8-13(20-14)21-17)18-9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80963952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).