2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

C26H23N3O — CID 139234706

IUPAC2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESCN(C)c1ccc(C2NC(=O)c3c4cccccc-4c(-c4ccccc4)c3N2)cc1
InChIInChI=1S/C26H23N3O/c1-29(2)19-15-13-18(14-16-19)25-27-24-22(17-9-5-3-6-10-17)20-11-7-4-8-12-21(20)23(24)26(30)28-25/h3-16,25,27H,1-2H3,(H,28,30)
InChIKeyJQQMLHILAGQKKX-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.38
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (PubChem CID 139234706) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
PubChem CID139234706
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESCN(C)c1ccc(C2NC(=O)c3c4cccccc-4c(-c4ccccc4)c3N2)cc1
InChIInChI=1S/C26H23N3O/c1-29(2)19-15-13-18(14-16-19)25-27-24-22(17-9-5-3-6-10-17)20-11-7-4-8-12-21(20)23(24)26(30)28-25/h3-16,25,27H,1-2H3,(H,28,30)
InChIKeyJQQMLHILAGQKKX-UHFFFAOYSA-N
XLogP5.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (CID 139234706) is 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is CN(C)c1ccc(C2NC(=O)c3c4cccccc-4c(-c4ccccc4)c3N2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The InChIKey is JQQMLHILAGQKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-29(2)19-15-13-18(14-16-19)25-27-24-22(17-9-5-3-6-10-17)20-11-7-4-8-12-21(20)23(24)26(30)28-25/h3-16,25,27H,1-2H3,(H,28,30).
What are the key properties of 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one has a molecular weight of 393.49 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is sourced from PubChem (CID 139234706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).