[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine

C12H22N4O — CID 116503109

IUPAC[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
SMILESCOCC(C)c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8(7-17-5)11-14-9(12(2,3)4)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyVQGGUUAJJYFHST-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.81
Rot. Bonds4

About [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 116503109) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID116503109
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
SMILESCOCC(C)c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8(7-17-5)11-14-9(12(2,3)4)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyVQGGUUAJJYFHST-UHFFFAOYSA-N
XLogP1.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.81
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

6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116502971
4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502346
[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116777556
2-(4,6-ditert-butylpyrimidin-2-yl)propan-1-amine
CID 63321483
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 133367691
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65132213
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251621
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777561
6-hydrazinyl-N,N-bis(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80963989
6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
CID 62314163
[2-(1-methoxypropan-2-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 116503114

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine (CID 116503109) is [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine is COCC(C)c1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is VQGGUUAJJYFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(7-17-5)11-14-9(12(2,3)4)6-10(15-11)16-13/h6,8H,7,13H2,1-5H3,(H,14,15,16).
What are the key properties of [6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 1.81, 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-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).