4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide

C17H30N4O4 — CID 67780415

IUPAC4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide
SMILESCOCCOCOc1c(C(C)(C)C)nc(C(=O)NN)nc1C(C)(C)C
InChIInChI=1S/C17H30N4O4/c1-16(2,3)12-11(25-10-24-9-8-23-7)13(17(4,5)6)20-14(19-12)15(22)21-18/h8-10,18H2,1-7H3,(H,21,22)
InChIKeyBCJDYJYRQAVYLC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.67
Rot. Bonds7

About 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide

4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide (PubChem CID 67780415) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide
PubChem CID67780415
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide
SMILESCOCCOCOc1c(C(C)(C)C)nc(C(=O)NN)nc1C(C)(C)C
InChIInChI=1S/C17H30N4O4/c1-16(2,3)12-11(25-10-24-9-8-23-7)13(17(4,5)6)20-14(19-12)15(22)21-18/h8-10,18H2,1-7H3,(H,21,22)
InChIKeyBCJDYJYRQAVYLC-UHFFFAOYSA-N
XLogP1.67
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide?
The IUPAC name of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide (CID 67780415) is 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide.
What is the SMILES notation for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide?
The canonical SMILES for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide is COCCOCOc1c(C(C)(C)C)nc(C(=O)NN)nc1C(C)(C)C.
What is the InChIKey of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide?
The InChIKey is BCJDYJYRQAVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-16(2,3)12-11(25-10-24-9-8-23-7)13(17(4,5)6)20-14(19-12)15(22)21-18/h8-10,18H2,1-7H3,(H,21,22).
What are the key properties of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide?
4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide has a molecular weight of 354.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 67780415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).