2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C11H18BrN5O — CID 102640220

IUPAC2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(NN)ncc1Br)C1CCCCC1O
InChIInChI=1S/C11H18BrN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyDCYFYLSIMXCVCF-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.26
Rot. Bonds3

About 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102640220) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102640220
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(NN)ncc1Br)C1CCCCC1O
InChIInChI=1S/C11H18BrN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyDCYFYLSIMXCVCF-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640251
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640226
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102640220) is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1nc(NN)ncc1Br)C1CCCCC1O.
What is the InChIKey of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is DCYFYLSIMXCVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 316.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).