2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C14H14F3N3O — CID 136710451

IUPAC2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NCCC2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O/c1-9-8-20-12(6-7-18-13(20)19-9)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,8,12H,6-7H2,1H3,(H,18,19)
InChIKeyDJPSNRBUNWFGNT-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.50
Rot. Bonds2

About 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710451) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710451
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NCCC2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O/c1-9-8-20-12(6-7-18-13(20)19-9)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,8,12H,6-7H2,1H3,(H,18,19)
InChIKeyDJPSNRBUNWFGNT-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710451) is 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1cn2c(n1)NCCC2c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is DJPSNRBUNWFGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9-8-20-12(6-7-18-13(20)19-9)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,8,12H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).