2,4,6-tris(2-methylpropoxy)pyrimidine

C16H28N2O3 — CID 25128815

IUPAC2,4,6-tris(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1cc(OCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C16H28N2O3/c1-11(2)8-19-14-7-15(20-9-12(3)4)18-16(17-14)21-10-13(5)6/h7,11-13H,8-10H2,1-6H3
InChIKeyLTPANPZIHUWIHZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.58
Rot. Bonds9

About 2,4,6-tris(2-methylpropoxy)pyrimidine

2,4,6-tris(2-methylpropoxy)pyrimidine (PubChem CID 25128815) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,4,6-tris(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(2-methylpropoxy)pyrimidine
PubChem CID25128815
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2,4,6-tris(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1cc(OCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C16H28N2O3/c1-11(2)8-19-14-7-15(20-9-12(3)4)18-16(17-14)21-10-13(5)6/h7,11-13H,8-10H2,1-6H3
InChIKeyLTPANPZIHUWIHZ-UHFFFAOYSA-N
XLogP3.58
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methylpropoxy)pyrimidine?
The IUPAC name of 2,4,6-tris(2-methylpropoxy)pyrimidine (CID 25128815) is 2,4,6-tris(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 2,4,6-tris(2-methylpropoxy)pyrimidine?
The canonical SMILES for 2,4,6-tris(2-methylpropoxy)pyrimidine is CC(C)COc1cc(OCC(C)C)nc(OCC(C)C)n1.
What is the InChIKey of 2,4,6-tris(2-methylpropoxy)pyrimidine?
The InChIKey is LTPANPZIHUWIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)8-19-14-7-15(20-9-12(3)4)18-16(17-14)21-10-13(5)6/h7,11-13H,8-10H2,1-6H3.
What are the key properties of 2,4,6-tris(2-methylpropoxy)pyrimidine?
2,4,6-tris(2-methylpropoxy)pyrimidine has a molecular weight of 296.41 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 25128815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).