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

C12H22N4O — CID 62251621

IUPAC[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCCOCc1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-17-8-11-14-9(12(2,3)4)7-10(15-11)16-13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyQLDVDGRDZBXPLV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds5

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

[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 62251621) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID62251621
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCCOCc1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-17-8-11-14-9(12(2,3)4)7-10(15-11)16-13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyQLDVDGRDZBXPLV-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine (CID 62251621) is [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine is CCCOCc1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QLDVDGRDZBXPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-17-8-11-14-9(12(2,3)4)7-10(15-11)16-13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16).
What are the key properties of [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).