8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine

C13H7F3IN3O — CID 155338075

IUPAC8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccn3cnc(I)c3n2)cc1
InChIInChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-8(2-4-9)10-5-6-20-7-18-11(17)12(20)19-10/h1-7H
InChIKeyANFYUEVRDCFWNW-UHFFFAOYSA-N
MW405.12 g/mol
LogP3.90
Rot. Bonds2

About 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine

8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine (PubChem CID 155338075) has the molecular formula C13H7F3IN3O and a molecular weight of 405.12 g/mol. Its IUPAC name is 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
PubChem CID155338075
Molecular FormulaC13H7F3IN3O
Molecular Weight405.12 g/mol
Exact Mass404.96
IUPAC Name8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccn3cnc(I)c3n2)cc1
InChIInChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-8(2-4-9)10-5-6-20-7-18-11(17)12(20)19-10/h1-7H
InChIKeyANFYUEVRDCFWNW-UHFFFAOYSA-N
XLogP3.90
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 115404958
3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142362630
3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158123234
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole
CID 90735139
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
6-[4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 150542588
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613023
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone
CID 90468985

Frequently Asked Questions

What is the IUPAC name of 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The IUPAC name of 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine (CID 155338075) is 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The canonical SMILES for 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine is FC(F)(F)Oc1ccc(-c2ccn3cnc(I)c3n2)cc1.
What is the InChIKey of 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
The InChIKey is ANFYUEVRDCFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-8(2-4-9)10-5-6-20-7-18-11(17)12(20)19-10/h1-7H.
What are the key properties of 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine?
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine has a molecular weight of 405.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 155338075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).