[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine

C11H17BrN4O — CID 80910470

IUPAC[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
SMILESCC1CCCC(Oc2nc(NN)ncc2Br)C1
InChIInChI=1S/C11H17BrN4O/c1-7-3-2-4-8(5-7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyPYPXKTWAFUEDHV-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.48
Rot. Bonds3

About [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine

[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine (PubChem CID 80910470) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
PubChem CID80910470
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
SMILESCC1CCCC(Oc2nc(NN)ncc2Br)C1
InChIInChI=1S/C11H17BrN4O/c1-7-3-2-4-8(5-7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyPYPXKTWAFUEDHV-UHFFFAOYSA-N
XLogP2.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.48
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-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876725
(4-cyclohexyloxy-5-methylpyrimidin-2-yl)hydrazine
CID 80909752
[6-methyl-4-(3-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336033
[4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-yl]hydrazine
CID 80922380
[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80921386
5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
[6-ethyl-4-(3-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336034
[4-methyl-6-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909599
[3,5-dichloro-6-(3-methylcyclohexyl)oxy-2-pyridinyl]hydrazine
CID 102762711
[5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909017
5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
CID 80872210
[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567693

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine (CID 80910470) is [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine is CC1CCCC(Oc2nc(NN)ncc2Br)C1.
What is the InChIKey of [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The InChIKey is PYPXKTWAFUEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7-3-2-4-8(5-7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine has a molecular weight of 301.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80910470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).