[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine

C16H28N4O — CID 116777556

IUPAC[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
SMILESCOC(c1nc(NN)cc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)12-10-13(20-17)19-15(18-12)14(21-4)11-8-6-5-7-9-11/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20)
InChIKeyMRTJEWIGUFFSMP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.33
Rot. Bonds4

About [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine (PubChem CID 116777556) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
PubChem CID116777556
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
SMILESCOC(c1nc(NN)cc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)12-10-13(20-17)19-15(18-12)14(21-4)11-8-6-5-7-9-11/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20)
InChIKeyMRTJEWIGUFFSMP-UHFFFAOYSA-N
XLogP3.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.33
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-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
[2-[cyclohexyl(ethoxy)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777584
[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116730368
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
4-tert-butyl-6-chloro-2-[cyclohexyl(ethoxy)methyl]pyrimidine
CID 116745713
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109
[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine
CID 63739487
[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
CID 115388699

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine (CID 116777556) is [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine is COC(c1nc(NN)cc(C(C)(C)C)n1)C1CCCCC1.
What is the InChIKey of [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine?
The InChIKey is MRTJEWIGUFFSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)12-10-13(20-17)19-15(18-12)14(21-4)11-8-6-5-7-9-11/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine has a molecular weight of 292.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).