4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine

C12H8Cl2F2N2O — CID 63613009

IUPAC4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C12H8Cl2F2N2O/c1-6-9(13)17-11(18-10(6)14)7-4-2-3-5-8(7)19-12(15)16/h2-5,12H,1H3
InChIKeyAGKUAJCQPUPCGQ-UHFFFAOYSA-N
MW305.11 g/mol
LogP4.36
Rot. Bonds3

About 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine

4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine (PubChem CID 63613009) has the molecular formula C12H8Cl2F2N2O and a molecular weight of 305.11 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine
PubChem CID63613009
Molecular FormulaC12H8Cl2F2N2O
Molecular Weight305.11 g/mol
Exact Mass304.00
IUPAC Name4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C12H8Cl2F2N2O/c1-6-9(13)17-11(18-10(6)14)7-4-2-3-5-8(7)19-12(15)16/h2-5,12H,1H3
InChIKeyAGKUAJCQPUPCGQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine (CID 63613009) is 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine is Cc1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine?
The InChIKey is AGKUAJCQPUPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O/c1-6-9(13)17-11(18-10(6)14)7-4-2-3-5-8(7)19-12(15)16/h2-5,12H,1H3.
What are the key properties of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine?
4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine has a molecular weight of 305.11 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 63613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).