[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine

C14H24N4O — CID 116777628

IUPAC[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nccc(NN)n2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N4O/c1-4-19-14(8-6-13(2,3)7-9-14)12-16-10-5-11(17-12)18-15/h5,10H,4,6-9,15H2,1-3H3,(H,16,17,18)
InChIKeySQROLTHMAOJVLR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.59
Rot. Bonds4

About [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine

[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine (PubChem CID 116777628) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
PubChem CID116777628
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nccc(NN)n2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N4O/c1-4-19-14(8-6-13(2,3)7-9-14)12-16-10-5-11(17-12)18-15/h5,10H,4,6-9,15H2,1-3H3,(H,16,17,18)
InChIKeySQROLTHMAOJVLR-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.59
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

[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915562

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine (CID 116777628) is [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine is CCOC1(c2nccc(NN)n2)CCC(C)(C)CC1.
What is the InChIKey of [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine?
The InChIKey is SQROLTHMAOJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-19-14(8-6-13(2,3)7-9-14)12-16-10-5-11(17-12)18-15/h5,10H,4,6-9,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine?
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).