5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine

C14H12BrClF2N2 — CID 66292401

IUPAC5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2cc(F)cc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H12BrClF2N2/c1-7(2)13-12(15)14(16)20-11(19-13)5-8-3-9(17)6-10(18)4-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVFDRBZXCPAAJQN-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.88
Rot. Bonds3

About 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine (PubChem CID 66292401) has the molecular formula C14H12BrClF2N2 and a molecular weight of 361.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine
PubChem CID66292401
Molecular FormulaC14H12BrClF2N2
Molecular Weight361.62 g/mol
Exact Mass359.98
IUPAC Name5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2cc(F)cc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H12BrClF2N2/c1-7(2)13-12(15)14(16)20-11(19-13)5-8-3-9(17)6-10(18)4-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVFDRBZXCPAAJQN-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine (CID 66292401) is 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine is CC(C)c1nc(Cc2cc(F)cc(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The InChIKey is VFDRBZXCPAAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2/c1-7(2)13-12(15)14(16)20-11(19-13)5-8-3-9(17)6-10(18)4-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine has a molecular weight of 361.62 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66292401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).