5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine

C8H14BrN5 — CID 80895372

IUPAC5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5/c1-3-4-14(2)7-6(9)5-11-8(12-7)13-10/h5H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyYCOJQSDSZAGLTD-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.37
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine

5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine (PubChem CID 80895372) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
PubChem CID80895372
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5/c1-3-4-14(2)7-6(9)5-11-8(12-7)13-10/h5H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyYCOJQSDSZAGLTD-UHFFFAOYSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80904570
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898833
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80908616
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine (CID 80895372) is 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine is CCCN(C)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine?
The InChIKey is YCOJQSDSZAGLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5/c1-3-4-14(2)7-6(9)5-11-8(12-7)13-10/h5H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine has a molecular weight of 260.14 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80895372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).