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

C14H12Cl2F2N2O — CID 63612518

IUPAC4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C14H12Cl2F2N2O/c1-7(2)10-11(15)19-13(20-12(10)16)8-5-3-4-6-9(8)21-14(17)18/h3-7,14H,1-2H3
InChIKeyVHVWBXQEUZTTJW-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.18
Rot. Bonds4

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

4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine (PubChem CID 63612518) has the molecular formula C14H12Cl2F2N2O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine
PubChem CID63612518
Molecular FormulaC14H12Cl2F2N2O
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C14H12Cl2F2N2O/c1-7(2)10-11(15)19-13(20-12(10)16)8-5-3-4-6-9(8)21-14(17)18/h3-7,14H,1-2H3
InChIKeyVHVWBXQEUZTTJW-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.18
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-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine (CID 63612518) is 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(-c2ccccc2OC(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine?
The InChIKey is VHVWBXQEUZTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2O/c1-7(2)10-11(15)19-13(20-12(10)16)8-5-3-4-6-9(8)21-14(17)18/h3-7,14H,1-2H3.
What are the key properties of 4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine?
4,6-dichloro-2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidine has a molecular weight of 333.17 g/mol, XLogP of 5.18, 4 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-propan-2-ylpyrimidine is sourced from PubChem (CID 63612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).