8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C19H17BrF2N4O — CID 57400037

About 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 57400037) has the molecular formula C19H17BrF2N4O and a molecular weight of 435.27 g/mol. Its IUPAC name is 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• PubChem CID: 57400037
• Molecular Formula: C19H17BrF2N4O
• Molecular Weight: 435.27 g/mol
• Exact Mass: 434.06
• IUPAC Name: 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• SMILES: COc1ccc(C2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1
• InChI: InChI=1S/C19H17BrF2N4O/c1-27-15-7-5-12(6-8-15)19(13-3-2-4-14(20)9-13)16-24-10-18(21,22)11-26(16)17(23)25-19/h2-9H,10-11H2,1H3,(H2,23,25)
• InChIKey: LVXQBMQMTVLGNH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 63.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.27
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The IUPAC name of 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 57400037) is 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

What is the SMILES notation for 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The canonical SMILES for 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1ccc(C2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1.

What is the InChIKey of 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The InChIKey is LVXQBMQMTVLGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N4O/c1-27-15-7-5-12(6-8-15)19(13-3-2-4-14(20)9-13)16-24-10-18(21,22)11-26(16)17(23)25-19/h2-9H,10-11H2,1H3,(H2,23,25).

What are the key properties of 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 435.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-bromophenyl)-3,3-difluoro-8-(4-methoxyphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 57400037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).