2-[(2-methylpropan-2-yl)oxy]pyrimidine

C8H12N2O — CID 54339704

IUPAC2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncccn1
InChIInChI=1S/C8H12N2O/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3
InChIKeyKTOZZUYPIQETBE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.65
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]pyrimidine

2-[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 54339704) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID54339704
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncccn1
InChIInChI=1S/C8H12N2O/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3
InChIKeyKTOZZUYPIQETBE-UHFFFAOYSA-N
XLogP1.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]pyrimidine (CID 54339704) is 2-[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncccn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is KTOZZUYPIQETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]pyrimidine?
2-[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 54339704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).