2-(2-methylpropoxy)pyrimidine

C8H12N2O — CID 23388567

IUPAC2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncccn1
InChIInChI=1S/C8H12N2O/c1-7(2)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3
InChIKeyMSXBZVPWAAXUNK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-methylpropoxy)pyrimidine

2-(2-methylpropoxy)pyrimidine (PubChem CID 23388567) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropoxy)pyrimidine
PubChem CID23388567
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncccn1
InChIInChI=1S/C8H12N2O/c1-7(2)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3
InChIKeyMSXBZVPWAAXUNK-UHFFFAOYSA-N
XLogP1.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)pyrimidine?
The IUPAC name of 2-(2-methylpropoxy)pyrimidine (CID 23388567) is 2-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 2-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 2-(2-methylpropoxy)pyrimidine is CC(C)COc1ncccn1.
What is the InChIKey of 2-(2-methylpropoxy)pyrimidine?
The InChIKey is MSXBZVPWAAXUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(2)6-11-8-9-4-3-5-10-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)pyrimidine?
2-(2-methylpropoxy)pyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 23388567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).