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

C12H12F4N4O — CID 70842856

IUPAC4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
SMILESCc1c(OCCC(F)C(F)(F)F)ncnc1-n1ccnc1
InChIInChI=1S/C12H12F4N4O/c1-8-10(20-4-3-17-7-20)18-6-19-11(8)21-5-2-9(13)12(14,15)16/h3-4,6-7,9H,2,5H2,1H3
InChIKeyTYMHOEPNOSLGAI-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.64
Rot. Bonds5

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

4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine (PubChem CID 70842856) has the molecular formula C12H12F4N4O and a molecular weight of 304.25 g/mol. Its IUPAC name is 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
PubChem CID70842856
Molecular FormulaC12H12F4N4O
Molecular Weight304.25 g/mol
Exact Mass304.09
IUPAC Name4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
SMILESCc1c(OCCC(F)C(F)(F)F)ncnc1-n1ccnc1
InChIInChI=1S/C12H12F4N4O/c1-8-10(20-4-3-17-7-20)18-6-19-11(8)21-5-2-9(13)12(14,15)16/h3-4,6-7,9H,2,5H2,1H3
InChIKeyTYMHOEPNOSLGAI-UHFFFAOYSA-N
XLogP2.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-
CID 3087488
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50962076
5-Chloro-4-imidazol-1-yl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
CID 70842876
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-Fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 156865187
5-Fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 162377168
4-Fluoro-6-methoxy-2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)pyrimidine
CID 168116144
2-(1,2-Dimethylimidazol-4-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 168116146
5-Fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium
CID 168796202

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine (CID 70842856) is 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine is Cc1c(OCCC(F)C(F)(F)F)ncnc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
The InChIKey is TYMHOEPNOSLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N4O/c1-8-10(20-4-3-17-7-20)18-6-19-11(8)21-5-2-9(13)12(14,15)16/h3-4,6-7,9H,2,5H2,1H3.
What are the key properties of 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine?
4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine has a molecular weight of 304.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine is sourced from PubChem (CID 70842856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).