5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C8H10BrN7O — CID 106412553

IUPAC5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESNNc1ncnc(NCCc2ncon2)c1Br
InChIInChI=1S/C8H10BrN7O/c9-6-7(12-3-13-8(6)15-10)11-2-1-5-14-4-17-16-5/h3-4H,1-2,10H2,(H2,11,12,13,15)
InChIKeyYTLULIKGKMNUOD-UHFFFAOYSA-N
MW300.12 g/mol
LogP0.56
Rot. Bonds5

About 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106412553) has the molecular formula C8H10BrN7O and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106412553
Molecular FormulaC8H10BrN7O
Molecular Weight300.12 g/mol
Exact Mass299.01
IUPAC Name5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESNNc1ncnc(NCCc2ncon2)c1Br
InChIInChI=1S/C8H10BrN7O/c9-6-7(12-3-13-8(6)15-10)11-2-1-5-14-4-17-16-5/h3-4H,1-2,10H2,(H2,11,12,13,15)
InChIKeyYTLULIKGKMNUOD-UHFFFAOYSA-N
XLogP0.56
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 106412550
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566
5-nitro-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412327
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106412553) is 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is NNc1ncnc(NCCc2ncon2)c1Br.
What is the InChIKey of 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YTLULIKGKMNUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN7O/c9-6-7(12-3-13-8(6)15-10)11-2-1-5-14-4-17-16-5/h3-4H,1-2,10H2,(H2,11,12,13,15).
What are the key properties of 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 300.12 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106412553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).