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

C16H28N2O3 — CID 19922985

IUPAC4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine
SMILESCOCCOCOc1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)13-12(21-11-20-9-8-19-7)14(16(4,5)6)18-10-17-13/h10H,8-9,11H2,1-7H3
InChIKeyRBXTYGIFWOWALP-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.07
Rot. Bonds6

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

4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine (PubChem CID 19922985) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine.

Molecular Properties

Compound Name4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine
PubChem CID19922985
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine
SMILESCOCCOCOc1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-15(2,3)13-12(21-11-20-9-8-19-7)14(16(4,5)6)18-10-17-13/h10H,8-9,11H2,1-7H3
InChIKeyRBXTYGIFWOWALP-UHFFFAOYSA-N
XLogP3.07
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine?
The IUPAC name of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine (CID 19922985) is 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine.
What is the SMILES notation for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine?
The canonical SMILES for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine is COCCOCOc1c(C(C)(C)C)ncnc1C(C)(C)C.
What is the InChIKey of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine?
The InChIKey is RBXTYGIFWOWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)13-12(21-11-20-9-8-19-7)14(16(4,5)6)18-10-17-13/h10H,8-9,11H2,1-7H3.
What are the key properties of 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine?
4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine has a molecular weight of 296.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-5-(2-methoxyethoxymethoxy)pyrimidine is sourced from PubChem (CID 19922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).