8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C23H18F4N6O — CID 57400036

IUPAC8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCC(F)(F)CN12
InChIInChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32)
InChIKeyMNFPPKGDMSWYSF-UHFFFAOYSA-N
MW470.43 g/mol
LogP3.67
Rot. Bonds5

About 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 57400036) has the molecular formula C23H18F4N6O and a molecular weight of 470.43 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID57400036
Molecular FormulaC23H18F4N6O
Molecular Weight470.43 g/mol
Exact Mass470.15
IUPAC Name8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCC(F)(F)CN12
InChIInChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32)
InChIKeyMNFPPKGDMSWYSF-UHFFFAOYSA-N
XLogP3.67
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 57400036) is 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCC(F)(F)CN12.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is MNFPPKGDMSWYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32).
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 470.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 57400036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).