[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine

C12H19ClN4O — CID 80921386

IUPAC[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
SMILESCC1CC(C)CC(Oc2nc(NN)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4O/c1-7-3-8(2)5-9(4-7)18-11-10(13)6-15-12(16-11)17-14/h6-9H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyDKUKQXUDOMRJOP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.62
Rot. Bonds3

About [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine

[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine (PubChem CID 80921386) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
PubChem CID80921386
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
SMILESCC1CC(C)CC(Oc2nc(NN)ncc2Cl)C1
InChIInChI=1S/C12H19ClN4O/c1-7-3-8(2)5-9(4-7)18-11-10(13)6-15-12(16-11)17-14/h6-9H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyDKUKQXUDOMRJOP-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.62
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

[4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-yl]hydrazine
CID 80922380
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80910470
5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876001
[5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909017
[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 64730996
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine
CID 64730402
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912202
[5-chloro-4-(2-cyclobutylethoxy)pyrimidin-2-yl]hydrazine
CID 106207949
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
(4-cyclohexyloxy-5-methylpyrimidin-2-yl)hydrazine
CID 80909752

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine (CID 80921386) is [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine is CC1CC(C)CC(Oc2nc(NN)ncc2Cl)C1.
What is the InChIKey of [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
The InChIKey is DKUKQXUDOMRJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-3-8(2)5-9(4-7)18-11-10(13)6-15-12(16-11)17-14/h6-9H,3-5,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine?
[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine has a molecular weight of 270.76 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80921386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).