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

C22H23F3N4O — CID 11683112

IUPAC8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCCCc1cccc(C2(c3ccc(OC(F)(F)F)cc3)N=C(N)N3CCCN=C32)c1
InChIInChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28)
InChIKeyUZPWRQOCXKHIDG-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.21
Rot. Bonds5

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

8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11683112) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11683112
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCCCc1cccc(C2(c3ccc(OC(F)(F)F)cc3)N=C(N)N3CCCN=C32)c1
InChIInChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28)
InChIKeyUZPWRQOCXKHIDG-UHFFFAOYSA-N
XLogP4.21
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8r)-8-[4-(Difluoromethoxy)phenyl]-3,3-Difluoro-8-[3-(3-Methoxyprop-1-Yn-1-Yl)phenyl]-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 57400038
8-(3-(2-Cyclopropylethyl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11647909
8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 57396605
(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-fluoropropoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 57328246
8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-fluoropropoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 57393109
8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(4-methoxybut-1-ynyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 57394837
(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 90656185
8-(3-(4-Methoxybenzyl)phenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11618427
8-(3-Bromophenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 44478658
8-(3-Bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 57400037
8-(3-Methoxyphenyl)-8-phenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11493476
(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-ynyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 137349986

Frequently Asked Questions

What is the IUPAC name of 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11683112) is 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is CCCc1cccc(C2(c3ccc(OC(F)(F)F)cc3)N=C(N)N3CCCN=C32)c1.
What is the InChIKey of 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is UZPWRQOCXKHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-2-5-15-6-3-7-17(14-15)21(19-27-12-4-13-29(19)20(26)28-21)16-8-10-18(11-9-16)30-22(23,24)25/h3,6-11,14H,2,4-5,12-13H2,1H3,(H2,26,28).
What are the key properties of 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 416.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11683112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).