methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine

C15H14F3N3O — CID 160502176

IUPACmethane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
SMILESC.Cc1cc(OC(F)(F)F)ccc1-c1cc2cncn2cn1
InChIInChI=1S/C14H10F3N3O.CH4/c1-9-4-11(21-14(15,16)17)2-3-12(9)13-5-10-6-18-7-20(10)8-19-13;/h2-8H,1H3;1H4
InChIKeyQRXWENUODSXCEU-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.24
Rot. Bonds2

About methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine

methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine (PubChem CID 160502176) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Namemethane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
PubChem CID160502176
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Namemethane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
SMILESC.Cc1cc(OC(F)(F)F)ccc1-c1cc2cncn2cn1
InChIInChI=1S/C14H10F3N3O.CH4/c1-9-4-11(21-14(15,16)17)2-3-12(9)13-5-10-6-18-7-20(10)8-19-13;/h2-8H,1H3;1H4
InChIKeyQRXWENUODSXCEU-UHFFFAOYSA-N
XLogP4.24
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
CID 160912434
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 134543465
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
2-methylsulfanyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile
CID 155338109
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470305
[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
CID 141403897

Frequently Asked Questions

What is the IUPAC name of methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine?
The IUPAC name of methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine (CID 160502176) is methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine.
What is the SMILES notation for methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine?
The canonical SMILES for methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine is C.Cc1cc(OC(F)(F)F)ccc1-c1cc2cncn2cn1.
What is the InChIKey of methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine?
The InChIKey is QRXWENUODSXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O.CH4/c1-9-4-11(21-14(15,16)17)2-3-12(9)13-5-10-6-18-7-20(10)8-19-13;/h2-8H,1H3;1H4.
What are the key properties of methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine?
methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine has a molecular weight of 309.29 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine is sourced from PubChem (CID 160502176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).