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

C25H23FN4O — CID 24992036

IUPAC8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)c1
InChIInChI=1S/C25H23FN4O/c1-31-20-11-12-22(26)21(16-20)17-7-5-10-19(15-17)25(18-8-3-2-4-9-18)23-28-13-6-14-30(23)24(27)29-25/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,27,29)
InChIKeySKLUIQBTAAGINC-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.18
Rot. Bonds4

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

8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24992036) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID24992036
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)c1
InChIInChI=1S/C25H23FN4O/c1-31-20-11-12-22(26)21(16-20)17-7-5-10-19(15-17)25(18-8-3-2-4-9-18)23-28-13-6-14-30(23)24(27)29-25/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,27,29)
InChIKeySKLUIQBTAAGINC-UHFFFAOYSA-N
XLogP4.18
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 24992036) is 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is COc1ccc(F)c(-c2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)c1.
What is the InChIKey of 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is SKLUIQBTAAGINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-31-20-11-12-22(26)21(16-20)17-7-5-10-19(15-17)25(18-8-3-2-4-9-18)23-28-13-6-14-30(23)24(27)29-25/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,27,29).
What are the key properties of 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 414.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24992036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).