4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine

C13H22N2O3 — CID 19922989

IUPAC4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine
SMILESCOCCOCOc1cnc(C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-10-14-8-11(12(15-10)13(2,3)4)18-9-17-7-6-16-5/h8H,6-7,9H2,1-5H3
InChIKeyNORIGCPHTLADRN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.08
Rot. Bonds6

About 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine

4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine (PubChem CID 19922989) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine
PubChem CID19922989
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine
SMILESCOCCOCOc1cnc(C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-10-14-8-11(12(15-10)13(2,3)4)18-9-17-7-6-16-5/h8H,6-7,9H2,1-5H3
InChIKeyNORIGCPHTLADRN-UHFFFAOYSA-N
XLogP2.08
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.08
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-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine?
The IUPAC name of 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine (CID 19922989) is 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine.
What is the SMILES notation for 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine?
The canonical SMILES for 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine is COCCOCOc1cnc(C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine?
The InChIKey is NORIGCPHTLADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-14-8-11(12(15-10)13(2,3)4)18-9-17-7-6-16-5/h8H,6-7,9H2,1-5H3.
What are the key properties of 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine?
4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine has a molecular weight of 254.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(2-methoxyethoxymethoxy)-2-methylpyrimidine is sourced from PubChem (CID 19922989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).