4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine

C16H28N2O3 — CID 18761963

IUPAC4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncnc(OC(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-14(2,3)19-11-12(20-15(4,5)6)17-10-18-13(11)21-16(7,8)9/h10H,1-9H3
InChIKeyQTHVUNXPZPOPJE-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.01
Rot. Bonds3

About 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine

4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 18761963) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID18761963
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncnc(OC(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-14(2,3)19-11-12(20-15(4,5)6)17-10-18-13(11)21-16(7,8)9/h10H,1-9H3
InChIKeyQTHVUNXPZPOPJE-UHFFFAOYSA-N
XLogP4.01
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine (CID 18761963) is 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncnc(OC(C)(C)C)c1OC(C)(C)C.
What is the InChIKey of 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is QTHVUNXPZPOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-14(2,3)19-11-12(20-15(4,5)6)17-10-18-13(11)21-16(7,8)9/h10H,1-9H3.
What are the key properties of 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine?
4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 296.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 18761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).