5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine

C11H9ClF4N4O — CID 70842876

IUPAC5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
SMILESFC(CCOc1ncnc(-n2ccnc2)c1Cl)C(F)(F)F
InChIInChI=1S/C11H9ClF4N4O/c12-8-9(20-3-2-17-6-20)18-5-19-10(8)21-4-1-7(13)11(14,15)16/h2-3,5-7H,1,4H2
InChIKeyREYYDTRDQMKLBT-UHFFFAOYSA-N
MW324.67 g/mol
LogP2.98
Rot. Bonds5

About 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine

5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine (PubChem CID 70842876) has the molecular formula C11H9ClF4N4O and a molecular weight of 324.67 g/mol. Its IUPAC name is 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
PubChem CID70842876
Molecular FormulaC11H9ClF4N4O
Molecular Weight324.67 g/mol
Exact Mass324.04
IUPAC Name5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
SMILESFC(CCOc1ncnc(-n2ccnc2)c1Cl)C(F)(F)F
InChIInChI=1S/C11H9ClF4N4O/c12-8-9(20-3-2-17-6-20)18-5-19-10(8)21-4-1-7(13)11(14,15)16/h2-3,5-7H,1,4H2
InChIKeyREYYDTRDQMKLBT-UHFFFAOYSA-N
XLogP2.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
CID 70842856
5-Chloro-4-(2,2,3,4,4,4-hexafluorobutoxy)-6-imidazol-1-ylpyrimidine
CID 87547912
4-(2,2,3,4,4,4-Hexafluorobutoxy)-6-imidazol-1-yl-5-methylpyrimidine
CID 87547915
5-Chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluoro-2-methylidenebutoxy)pyrimidine
CID 91382730
2-(5-Chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 156865186
4-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine
CID 75510009
4-Ethoxy-6-imidazol-1-ylpyrimidine
CID 10631526
4-But-2-ynoxy-6-imidazol-1-ylpyrimidine
CID 57538956
4-Imidazol-1-yl-6-prop-2-ynoxypyrimidine
CID 57538958
4-(2,2-Dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine
CID 68716931
4-(3,3-Dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine
CID 68718727
4-Imidazol-1-yl-6-(2-methylprop-2-enoxy)pyrimidine
CID 68718766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The IUPAC name of 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine (CID 70842876) is 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine.
What is the SMILES notation for 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The canonical SMILES for 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine is FC(CCOc1ncnc(-n2ccnc2)c1Cl)C(F)(F)F.
What is the InChIKey of 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The InChIKey is REYYDTRDQMKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4N4O/c12-8-9(20-3-2-17-6-20)18-5-19-10(8)21-4-1-7(13)11(14,15)16/h2-3,5-7H,1,4H2.
What are the key properties of 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine has a molecular weight of 324.67 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine is sourced from PubChem (CID 70842876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).