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

C24H26Cl2N4 — CID 24955989

IUPAC8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CCCCC2)C2=NCCCN12
InChIInChI=1S/C24H26Cl2N4/c25-20-13-17(14-21(26)15-20)16-6-4-9-19(12-16)24(18-7-2-1-3-8-18)22-28-10-5-11-30(22)23(27)29-24/h4,6,9,12-15,18H,1-3,5,7-8,10-11H2,(H2,27,29)
InChIKeyUHHMVVZAGYSJOO-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.87
Rot. Bonds3

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

8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24955989) has the molecular formula C24H26Cl2N4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID24955989
Molecular FormulaC24H26Cl2N4
Molecular Weight441.41 g/mol
Exact Mass440.15
IUPAC Name8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CCCCC2)C2=NCCCN12
InChIInChI=1S/C24H26Cl2N4/c25-20-13-17(14-21(26)15-20)16-6-4-9-19(12-16)24(18-7-2-1-3-8-18)22-28-10-5-11-30(22)23(27)29-24/h4,6,9,12-15,18H,1-3,5,7-8,10-11H2,(H2,27,29)
InChIKeyUHHMVVZAGYSJOO-UHFFFAOYSA-N
XLogP5.87
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 24955989) is 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CCCCC2)C2=NCCCN12.
What is the InChIKey of 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is UHHMVVZAGYSJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4/c25-20-13-17(14-21(26)15-20)16-6-4-9-19(12-16)24(18-7-2-1-3-8-18)22-28-10-5-11-30(22)23(27)29-24/h4,6,9,12-15,18H,1-3,5,7-8,10-11H2,(H2,27,29).
What are the key properties of 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 441.41 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24955989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).