2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C24H28N6O2S — CID 58154222

IUPAC2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)cc1
InChIInChI=1S/C24H28N6O2S/c1-16-2-4-17(5-3-16)20-14-25-21-15-29(9-10-30(20)21)24-27-19-8-13-33(31)22(19)23(28-24)26-18-6-11-32-12-7-18/h2-5,14,18H,6-13,15H2,1H3,(H,26,27,28)
InChIKeyZZCJWIVUDUVSFS-UHFFFAOYSA-N
MW464.60 g/mol
LogP2.92
Rot. Bonds4

About 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58154222) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58154222
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)cc1
InChIInChI=1S/C24H28N6O2S/c1-16-2-4-17(5-3-16)20-14-25-21-15-29(9-10-30(20)21)24-27-19-8-13-33(31)22(19)23(28-24)26-18-6-11-32-12-7-18/h2-5,14,18H,6-13,15H2,1H3,(H,26,27,28)
InChIKeyZZCJWIVUDUVSFS-UHFFFAOYSA-N
XLogP2.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58154222) is 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1ccc(-c2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZZCJWIVUDUVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-2-4-17(5-3-16)20-14-25-21-15-29(9-10-30(20)21)24-27-19-8-13-33(31)22(19)23(28-24)26-18-6-11-32-12-7-18/h2-5,14,18H,6-13,15H2,1H3,(H,26,27,28).
What are the key properties of 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 464.60 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58154222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).