5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine

C12H20BrN5 — CID 80919360

IUPAC5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)C1CCCCC1
InChIInChI=1S/C12H20BrN5/c1-8(9-5-3-2-4-6-9)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyOHMIKYHLBWBPEB-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80919360) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80919360
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Br)C1CCCCC1
InChIInChI=1S/C12H20BrN5/c1-8(9-5-3-2-4-6-9)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyOHMIKYHLBWBPEB-UHFFFAOYSA-N
XLogP2.91
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.91
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

3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine
CID 116648402
N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 62405635
N-(1-cyclopentylethyl)-6-hydrazinylpyrazin-2-amine
CID 80911821
5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80906692
5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 80897348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine (CID 80919360) is 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine is CC(Nc1nc(NN)ncc1Br)C1CCCCC1.
What is the InChIKey of 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is OHMIKYHLBWBPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-8(9-5-3-2-4-6-9)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80919360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).