4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine

C9H10Cl2F2N2O — CID 103146697

IUPAC4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CCOCC(F)F)nc1Cl
InChIInChI=1S/C9H10Cl2F2N2O/c1-5-8(10)14-7(15-9(5)11)2-3-16-4-6(12)13/h6H,2-4H2,1H3
InChIKeyCADIEQGKFIBHJD-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.92
Rot. Bonds5

About 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine

4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine (PubChem CID 103146697) has the molecular formula C9H10Cl2F2N2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine
PubChem CID103146697
Molecular FormulaC9H10Cl2F2N2O
Molecular Weight271.09 g/mol
Exact Mass270.01
IUPAC Name4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CCOCC(F)F)nc1Cl
InChIInChI=1S/C9H10Cl2F2N2O/c1-5-8(10)14-7(15-9(5)11)2-3-16-4-6(12)13/h6H,2-4H2,1H3
InChIKeyCADIEQGKFIBHJD-UHFFFAOYSA-N
XLogP2.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine (CID 103146697) is 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine is Cc1c(Cl)nc(CCOCC(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine?
The InChIKey is CADIEQGKFIBHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F2N2O/c1-5-8(10)14-7(15-9(5)11)2-3-16-4-6(12)13/h6H,2-4H2,1H3.
What are the key properties of 4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine?
4,6-dichloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine has a molecular weight of 271.09 g/mol, XLogP of 2.92, 5 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-(2,2-difluoroethoxy)ethyl]-5-methylpyrimidine is sourced from PubChem (CID 103146697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).