2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine

C12H10F2N2O — CID 19436135

IUPAC2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C12H10F2N2O/c1-8-6-15-11(16-7-8)9-2-4-10(5-3-9)17-12(13)14/h2-7,12H,1H3
InChIKeyPYBBZBUPKVVZRS-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.05
Rot. Bonds3

About 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine

2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine (PubChem CID 19436135) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
PubChem CID19436135
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C12H10F2N2O/c1-8-6-15-11(16-7-8)9-2-4-10(5-3-9)17-12(13)14/h2-7,12H,1H3
InChIKeyPYBBZBUPKVVZRS-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine (CID 19436135) is 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine is Cc1cnc(-c2ccc(OC(F)F)cc2)nc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The InChIKey is PYBBZBUPKVVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-8-6-15-11(16-7-8)9-2-4-10(5-3-9)17-12(13)14/h2-7,12H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine?
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine has a molecular weight of 236.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 19436135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).