N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine

C11H16BrN5 — CID 80917302

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NC2CC3CCC2C3)n1
InChIInChI=1S/C11H16BrN5/c12-8-5-14-11(17-13)16-10(8)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4,13H2,(H2,14,15,16,17)
InChIKeyCGZMMWRFRBBWQK-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.13
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine (PubChem CID 80917302) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
PubChem CID80917302
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(NC2CC3CCC2C3)n1
InChIInChI=1S/C11H16BrN5/c12-8-5-14-11(17-13)16-10(8)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4,13H2,(H2,14,15,16,17)
InChIKeyCGZMMWRFRBBWQK-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.13
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

N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
CID 66340376
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82737407
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80915090
N-(2-bicyclo[2.2.1]heptanyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80910324
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075
N-(2-bicyclo[2.2.1]heptanyl)-3-bromo-4-methyl-5-nitropyridin-2-amine
CID 104508020

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine (CID 80917302) is N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Br)c(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine?
The InChIKey is CGZMMWRFRBBWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c12-8-5-14-11(17-13)16-10(8)15-9-4-6-1-2-7(9)3-6/h5-7,9H,1-4,13H2,(H2,14,15,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine has a molecular weight of 298.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80917302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).