[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine

C13H22N4O — CID 114343031

IUPAC[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OC1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4O/c1-9-11(17-14)15-8-16-12(9)18-10-4-6-13(2,3)7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyPUISMACBPOQUOM-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.42
Rot. Bonds3

About [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine

[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 114343031) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
PubChem CID114343031
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OC1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4O/c1-9-11(17-14)15-8-16-12(9)18-10-4-6-13(2,3)7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyPUISMACBPOQUOM-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.42
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-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
CID 80920309
[2-cyclopropyl-6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 114343036
[6-(4,4-dimethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114343032
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
CID 114342954
(6-cyclohexyloxy-5-ethylpyrimidin-4-yl)hydrazine
CID 80910051
[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80910587
N,5-dimethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608806
4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine
CID 114341846
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
CID 80876542
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
[2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-yl]hydrazine
CID 80919838

Frequently Asked Questions

What is the IUPAC name of [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine (CID 114343031) is [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1OC1CCC(C)(C)CC1.
What is the InChIKey of [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is PUISMACBPOQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(17-14)15-8-16-12(9)18-10-4-6-13(2,3)7-5-10/h8,10H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine?
[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114343031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).