4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine

C14H14F2N2O2 — CID 138756390

IUPAC4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine
SMILESCOC(OC)c1cc(C(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14F2N2O2/c1-19-14(20-2)11-8-10(12(15)16)17-13(18-11)9-6-4-3-5-7-9/h3-8,12,14H,1-2H3
InChIKeyWRKGGLAIEFTKJX-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.37
Rot. Bonds5

About 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine

4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine (PubChem CID 138756390) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine
PubChem CID138756390
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine
SMILESCOC(OC)c1cc(C(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14F2N2O2/c1-19-14(20-2)11-8-10(12(15)16)17-13(18-11)9-6-4-3-5-7-9/h3-8,12,14H,1-2H3
InChIKeyWRKGGLAIEFTKJX-UHFFFAOYSA-N
XLogP3.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine (CID 138756390) is 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine is COC(OC)c1cc(C(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine?
The InChIKey is WRKGGLAIEFTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-19-14(20-2)11-8-10(12(15)16)17-13(18-11)9-6-4-3-5-7-9/h3-8,12,14H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine?
4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine has a molecular weight of 280.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(dimethoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 138756390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).