[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine

C14H26N4O2 — CID 81001737

IUPAC[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
SMILESCCCOCCOc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H26N4O2/c1-6-7-19-8-9-20-12-10(2)11(18-15)16-13(17-12)14(3,4)5/h6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyPNKKFJNVDSFRSL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.17
Rot. Bonds7

About [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine

[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 81001737) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
PubChem CID81001737
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
SMILESCCCOCCOc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H26N4O2/c1-6-7-19-8-9-20-12-10(2)11(18-15)16-13(17-12)14(3,4)5/h6-9,15H2,1-5H3,(H,16,17,18)
InChIKeyPNKKFJNVDSFRSL-UHFFFAOYSA-N
XLogP2.17
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine (CID 81001737) is [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine is CCCOCCOc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is PNKKFJNVDSFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-7-19-8-9-20-12-10(2)11(18-15)16-13(17-12)14(3,4)5/h6-9,15H2,1-5H3,(H,16,17,18).
What are the key properties of [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 282.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).