(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C21H19F5N4O2 — CID 90656185

IUPAC(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(OCCF)c2)C2=NCC(F)(F)CN12
InChIInChI=1S/C21H19F5N4O2/c22-8-9-31-16-3-1-2-14(10-16)21(13-4-6-15(7-5-13)32-18(23)24)17-28-11-20(25,26)12-30(17)19(27)29-21/h1-7,10,18H,8-9,11-12H2,(H2,27,29)/t21-/m1/s1
InChIKeyYMCAEGQLCUHXHN-OAQYLSRUSA-N
MW454.40 g/mol
LogP3.56
Rot. Bonds7

About (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 90656185) has the molecular formula C21H19F5N4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID90656185
Molecular FormulaC21H19F5N4O2
Molecular Weight454.40 g/mol
Exact Mass454.14
IUPAC Name(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(OCCF)c2)C2=NCC(F)(F)CN12
InChIInChI=1S/C21H19F5N4O2/c22-8-9-31-16-3-1-2-14(10-16)21(13-4-6-15(7-5-13)32-18(23)24)17-28-11-20(25,26)12-30(17)19(27)29-21/h1-7,10,18H,8-9,11-12H2,(H2,27,29)/t21-/m1/s1
InChIKeyYMCAEGQLCUHXHN-OAQYLSRUSA-N
XLogP3.56
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 90656185) is (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is NC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(OCCF)c2)C2=NCC(F)(F)CN12.
What is the InChIKey of (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is YMCAEGQLCUHXHN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19F5N4O2/c22-8-9-31-16-3-1-2-14(10-16)21(13-4-6-15(7-5-13)32-18(23)24)17-28-11-20(25,26)12-30(17)19(27)29-21/h1-7,10,18H,8-9,11-12H2,(H2,27,29)/t21-/m1/s1.
What are the key properties of (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
(8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 454.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(2-fluoroethoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 90656185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).