5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine

C14H13BrClFN2 — CID 66293966

IUPAC5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
SMILESCCCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-2-3-11-13(15)14(16)19-12(18-11)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyBJRIBTOXGWZUPP-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.57
Rot. Bonds4

About 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine

5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine (PubChem CID 66293966) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
PubChem CID66293966
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
SMILESCCCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-2-3-11-13(15)14(16)19-12(18-11)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyBJRIBTOXGWZUPP-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.57
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-[(4-fluorophenyl)methyl]-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine (CID 66293966) is 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine is CCCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine?
The InChIKey is BJRIBTOXGWZUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-2-3-11-13(15)14(16)19-12(18-11)8-9-4-6-10(17)7-5-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine?
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine has a molecular weight of 343.63 g/mol, XLogP of 4.57, 4 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-[(4-fluorophenyl)methyl]-6-propylpyrimidine is sourced from PubChem (CID 66293966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).