4-methoxy-6-(2-methylpropyl)pyrimidine

C9H14N2O — CID 146431371

IUPAC4-methoxy-6-(2-methylpropyl)pyrimidine
SMILESCOc1cc(CC(C)C)ncn1
InChIInChI=1S/C9H14N2O/c1-7(2)4-8-5-9(12-3)11-6-10-8/h5-7H,4H2,1-3H3
InChIKeyJMNPMNBLORYURA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.68
Rot. Bonds3

About 4-methoxy-6-(2-methylpropyl)pyrimidine

4-methoxy-6-(2-methylpropyl)pyrimidine (PubChem CID 146431371) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(2-methylpropyl)pyrimidine
PubChem CID146431371
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methoxy-6-(2-methylpropyl)pyrimidine
SMILESCOc1cc(CC(C)C)ncn1
InChIInChI=1S/C9H14N2O/c1-7(2)4-8-5-9(12-3)11-6-10-8/h5-7H,4H2,1-3H3
InChIKeyJMNPMNBLORYURA-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(2-methylpropyl)pyrimidine (CID 146431371) is 4-methoxy-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(2-methylpropyl)pyrimidine is COc1cc(CC(C)C)ncn1.
What is the InChIKey of 4-methoxy-6-(2-methylpropyl)pyrimidine?
The InChIKey is JMNPMNBLORYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)4-8-5-9(12-3)11-6-10-8/h5-7H,4H2,1-3H3.
What are the key properties of 4-methoxy-6-(2-methylpropyl)pyrimidine?
4-methoxy-6-(2-methylpropyl)pyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 146431371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).