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

C14H13BrClFN2 — CID 66293824

IUPAC5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-8(2)13-12(15)14(16)19-11(18-13)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3
InChIKeyBXXJQZFDJSWKJG-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.75
Rot. Bonds3

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

5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine (PubChem CID 66293824) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
PubChem CID66293824
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-8(2)13-12(15)14(16)19-11(18-13)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3
InChIKeyBXXJQZFDJSWKJG-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.75
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-fluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine (CID 66293824) is 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine is CC(C)c1nc(Cc2cccc(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine?
The InChIKey is BXXJQZFDJSWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-8(2)13-12(15)14(16)19-11(18-13)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-[(3-fluorophenyl)methyl]-6-propan-2-ylpyrimidine has a molecular weight of 343.63 g/mol, XLogP of 4.75, 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-fluorophenyl)methyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66293824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).