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

C10H16BrN5O — CID 80919191

IUPAC2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(Br)c(NC2CCCCC2O)n1
InChIInChI=1S/C10H16BrN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyIFZUJSMQFBESGM-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.24
Rot. Bonds3

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

2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 80919191) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID80919191
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(Br)c(NC2CCCCC2O)n1
InChIInChI=1S/C10H16BrN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyIFZUJSMQFBESGM-UHFFFAOYSA-N
XLogP1.24
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.24
H-Bond Donors ≤ 54
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

trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
CID 80917302
5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82737407
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 103333417
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640220
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 80919191) is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is NNc1ncc(Br)c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is IFZUJSMQFBESGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16).
What are the key properties of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 302.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80919191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).