5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine

C12H22BrN5 — CID 106026014

IUPAC5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1nc(NN)ncc1Br
InChIInChI=1S/C12H22BrN5/c1-3-5-7-9(6-4-2)16-11-10(13)8-15-12(17-11)18-14/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGQCOVBXOPOIYFR-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.30
Rot. Bonds8

About 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine

5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine (PubChem CID 106026014) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
PubChem CID106026014
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1nc(NN)ncc1Br
InChIInChI=1S/C12H22BrN5/c1-3-5-7-9(6-4-2)16-11-10(13)8-15-12(17-11)18-14/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGQCOVBXOPOIYFR-UHFFFAOYSA-N
XLogP3.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.30
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-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80908190
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
CID 114138448
6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
CID 106026043
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine (CID 106026014) is 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine is CCCCC(CCC)Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine?
The InChIKey is GQCOVBXOPOIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-3-5-7-9(6-4-2)16-11-10(13)8-15-12(17-11)18-14/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine has a molecular weight of 316.25 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine is sourced from PubChem (CID 106026014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).