8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C24H25F3N4O — CID 11647909

IUPAC8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN12
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30)
InChIKeyHAEYOFDFQFNGQU-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.60
Rot. Bonds6

About 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11647909) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11647909
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN12
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30)
InChIKeyHAEYOFDFQFNGQU-UHFFFAOYSA-N
XLogP4.60
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11647909) is 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN12.
What is the InChIKey of 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is HAEYOFDFQFNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-24(26,27)32-20-11-9-18(10-12-20)23(21-29-13-2-14-31(21)22(28)30-23)19-4-1-3-17(15-19)8-7-16-5-6-16/h1,3-4,9-12,15-16H,2,5-8,13-14H2,(H2,28,30).
What are the key properties of 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 442.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-cyclopropylethyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11647909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).