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

C9H14N2O — CID 59393701

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
SMILESCC(C)(C)OCc1ncccn1
InChIInChI=1S/C9H14N2O/c1-9(2,3)12-7-8-10-5-4-6-11-8/h4-6H,7H2,1-3H3
InChIKeyQGFXNZPUZXVKFH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.79
Rot. Bonds2

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

2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (PubChem CID 59393701) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
PubChem CID59393701
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
SMILESCC(C)(C)OCc1ncccn1
InChIInChI=1S/C9H14N2O/c1-9(2,3)12-7-8-10-5-4-6-11-8/h4-6H,7H2,1-3H3
InChIKeyQGFXNZPUZXVKFH-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.79
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)oxymethyl]pyrimidine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (CID 59393701) is 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is CC(C)(C)OCc1ncccn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
The InChIKey is QGFXNZPUZXVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)12-7-8-10-5-4-6-11-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.79, 2 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)oxymethyl]pyrimidine is sourced from PubChem (CID 59393701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).