4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine

C9H12F2N2O — CID 173469914

IUPAC4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(OC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-6(2)5-7-12-4-3-8(13-7)14-9(10)11/h3-4,6,9H,5H2,1-2H3
InChIKeyQOTAJADCWILTOH-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.28
Rot. Bonds4

About 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine

4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine (PubChem CID 173469914) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine
PubChem CID173469914
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(OC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-6(2)5-7-12-4-3-8(13-7)14-9(10)11/h3-4,6,9H,5H2,1-2H3
InChIKeyQOTAJADCWILTOH-UHFFFAOYSA-N
XLogP2.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine (CID 173469914) is 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine is CC(C)Cc1nccc(OC(F)F)n1.
What is the InChIKey of 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine?
The InChIKey is QOTAJADCWILTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6(2)5-7-12-4-3-8(13-7)14-9(10)11/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine?
4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine has a molecular weight of 202.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 173469914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).