5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C11H13BrClF3N2O — CID 103146715

IUPAC5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCCCc1nc(CCOCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H13BrClF3N2O/c1-2-3-7-9(12)10(13)18-8(17-7)4-5-19-6-11(14,15)16/h2-6H2,1H3
InChIKeyPCBYZXDOKSTPAE-UHFFFAOYSA-N
MW361.59 g/mol
LogP3.97
Rot. Bonds6

About 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146715) has the molecular formula C11H13BrClF3N2O and a molecular weight of 361.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146715
Molecular FormulaC11H13BrClF3N2O
Molecular Weight361.59 g/mol
Exact Mass359.99
IUPAC Name5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCCCc1nc(CCOCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H13BrClF3N2O/c1-2-3-7-9(12)10(13)18-8(17-7)4-5-19-6-11(14,15)16/h2-6H2,1H3
InChIKeyPCBYZXDOKSTPAE-UHFFFAOYSA-N
XLogP3.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 53.97
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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Related Compounds

5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
5-bromo-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842452
5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
CID 66291926
5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208740
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966
4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103213749
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
5-bromo-4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidine
CID 66293358
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
5-bromo-4-chloro-6-methyl-2-propylpyrimidine
CID 66293537
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146715) is 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is CCCc1nc(CCOCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is PCBYZXDOKSTPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF3N2O/c1-2-3-7-9(12)10(13)18-8(17-7)4-5-19-6-11(14,15)16/h2-6H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 361.59 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).