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

C25H22Cl2N4O2 — CID 24873151

IUPAC6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol
SMILESCOc1ccc(C2(c3cccc(-c4cc(Cl)cc(Cl)c4)c3)N=C(N)N3CC(O)CN=C32)cc1
InChIInChI=1S/C25H22Cl2N4O2/c1-33-22-7-5-17(6-8-22)25(23-29-13-21(32)14-31(23)24(28)30-25)18-4-2-3-15(9-18)16-10-19(26)12-20(27)11-16/h2-12,21,32H,13-14H2,1H3,(H2,28,30)
InChIKeyGCZUKTMFRBFMEW-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.32
Rot. Bonds4

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

6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol (PubChem CID 24873151) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol.

Molecular Properties

Compound Name6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol
PubChem CID24873151
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC Name6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol
SMILESCOc1ccc(C2(c3cccc(-c4cc(Cl)cc(Cl)c4)c3)N=C(N)N3CC(O)CN=C32)cc1
InChIInChI=1S/C25H22Cl2N4O2/c1-33-22-7-5-17(6-8-22)25(23-29-13-21(32)14-31(23)24(28)30-25)18-4-2-3-15(9-18)16-10-19(26)12-20(27)11-16/h2-12,21,32H,13-14H2,1H3,(H2,28,30)
InChIKeyGCZUKTMFRBFMEW-UHFFFAOYSA-N
XLogP4.32
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol?
The IUPAC name of 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol (CID 24873151) is 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol.
What is the SMILES notation for 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol?
The canonical SMILES for 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol is COc1ccc(C2(c3cccc(-c4cc(Cl)cc(Cl)c4)c3)N=C(N)N3CC(O)CN=C32)cc1.
What is the InChIKey of 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol?
The InChIKey is GCZUKTMFRBFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-33-22-7-5-17(6-8-22)25(23-29-13-21(32)14-31(23)24(28)30-25)18-4-2-3-15(9-18)16-10-19(26)12-20(27)11-16/h2-12,21,32H,13-14H2,1H3,(H2,28,30).
What are the key properties of 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol?
6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol has a molecular weight of 481.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol is sourced from PubChem (CID 24873151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).