4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine

C11H14F2N2O — CID 126954435

IUPAC4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine
SMILESCc1ncnc(OCC2CC(F)(F)C2)c1C
InChIInChI=1S/C11H14F2N2O/c1-7-8(2)14-6-15-10(7)16-5-9-3-11(12,13)4-9/h6,9H,3-5H2,1-2H3
InChIKeyMINRMMHNOMAMFB-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.52
Rot. Bonds3

About 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine

4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine (PubChem CID 126954435) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine
PubChem CID126954435
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine
SMILESCc1ncnc(OCC2CC(F)(F)C2)c1C
InChIInChI=1S/C11H14F2N2O/c1-7-8(2)14-6-15-10(7)16-5-9-3-11(12,13)4-9/h6,9H,3-5H2,1-2H3
InChIKeyMINRMMHNOMAMFB-UHFFFAOYSA-N
XLogP2.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine (CID 126954435) is 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine is Cc1ncnc(OCC2CC(F)(F)C2)c1C.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine?
The InChIKey is MINRMMHNOMAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-8(2)14-6-15-10(7)16-5-9-3-11(12,13)4-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine?
4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine has a molecular weight of 228.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)methoxy]-5,6-dimethylpyrimidine is sourced from PubChem (CID 126954435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).