acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C26H24F3N5O2 — CID 24990256

IUPACacetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCC(=O)O.NC1=NC(c2ccncc2)(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C2=NCCCN12
InChIInChI=1S/C24H20F3N5.C2H4O2/c25-24(26,27)20-7-2-5-17(15-20)16-4-1-6-19(14-16)23(18-8-11-29-12-9-18)21-30-10-3-13-32(21)22(28)31-23;1-2(3)4/h1-2,4-9,11-12,14-15H,3,10,13H2,(H2,28,31);1H3,(H,3,4)
InChIKeyWJZCXARYIWGPSB-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.53
Rot. Bonds3

About acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24990256) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Nameacetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID24990256
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Nameacetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCC(=O)O.NC1=NC(c2ccncc2)(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C2=NCCCN12
InChIInChI=1S/C24H20F3N5.C2H4O2/c25-24(26,27)20-7-2-5-17(15-20)16-4-1-6-19(14-16)23(18-8-11-29-12-9-18)21-30-10-3-13-32(21)22(28)31-23;1-2(3)4/h1-2,4-9,11-12,14-15H,3,10,13H2,(H2,28,31);1H3,(H,3,4)
InChIKeyWJZCXARYIWGPSB-UHFFFAOYSA-N
XLogP4.53
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;[4-[6-amino-8-[3-(3-ethoxyphenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899610
[4-[5-amino-7-[3-(3-methylphenyl)phenyl]-2,3-dihydroimidazo[1,2-c]imidazol-7-yl]phenyl] trifluoromethanesulfonate
CID 143594445
(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59837919
8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 143594430
9-[3-(2-fluoro-3-pyridinyl)phenyl]-9-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydroimidazo[1,5-a][1,3]diazepin-7-amine
CID 25184936
[4-[6-amino-8-[3-(3-methoxyphenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] propane-1-sulfonate
CID 24900118
3,3-difluoro-8-pyridin-4-yl-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24871744
(8R)-8-(3-bromophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 129386819
[3-[6-amino-8-(3-bromophenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] difluoro(phosphanyl)methanesulfinate
CID 143594435
[3-[6-amino-8-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899869
3-[4-[6-amino-8-(3-bromophenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl]propane-1-sulfonic acid
CID 91222911
8-(3-bromophenyl)-8-thiophen-3-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59030697

Frequently Asked Questions

What is the IUPAC name of acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 24990256) is acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is CC(=O)O.NC1=NC(c2ccncc2)(c2cccc(-c3cccc(C(F)(F)F)c3)c2)C2=NCCCN12.
What is the InChIKey of acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is WJZCXARYIWGPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5.C2H4O2/c25-24(26,27)20-7-2-5-17(15-20)16-4-1-6-19(14-16)23(18-8-11-29-12-9-18)21-30-10-3-13-32(21)22(28)31-23;1-2(3)4/h1-2,4-9,11-12,14-15H,3,10,13H2,(H2,28,31);1H3,(H,3,4).
What are the key properties of acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 495.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24990256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).