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

C9H16BrN5 — CID 80932768

IUPAC5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)Nc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5/c1-3-4-6(2)13-8-7(10)5-12-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyIUDNSBRDAMLFOZ-UHFFFAOYSA-N
MW274.17 g/mol
LogP2.13
Rot. Bonds5

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

5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine (PubChem CID 80932768) has the molecular formula C9H16BrN5 and a molecular weight of 274.17 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
PubChem CID80932768
Molecular FormulaC9H16BrN5
Molecular Weight274.17 g/mol
Exact Mass273.06
IUPAC Name5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)Nc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5/c1-3-4-6(2)13-8-7(10)5-12-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyIUDNSBRDAMLFOZ-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
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

5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
CID 106026014
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 80897348
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846989
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine (CID 80932768) is 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine is CCCC(C)Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine?
The InChIKey is IUDNSBRDAMLFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5/c1-3-4-6(2)13-8-7(10)5-12-9(14-8)15-11/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine has a molecular weight of 274.17 g/mol, XLogP of 2.13, 5 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-pentan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80932768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).