5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine

C8H14BrN5 — CID 80930723

IUPAC5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5/c1-8(2,3)13-6-5(9)4-11-7(12-6)14-10/h4H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyKLTPTWDCDAEBOX-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine

5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine (PubChem CID 80930723) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
PubChem CID80930723
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5/c1-8(2,3)13-6-5(9)4-11-7(12-6)14-10/h4H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyKLTPTWDCDAEBOX-UHFFFAOYSA-N
XLogP1.74
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.74
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

5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80811705

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine (CID 80930723) is 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine is CC(C)(C)Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine?
The InChIKey is KLTPTWDCDAEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5/c1-8(2,3)13-6-5(9)4-11-7(12-6)14-10/h4H,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine has a molecular weight of 260.14 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80930723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).