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

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

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

Launch Full Analysis

Related Compounds

CID 4052597
CID 4052597
CID 3117505
CID 3117505
CID 139234701
CID 139234701
CID 13789457
CID 13789457
CID 139189024
CID 139189024
CID 139234699
CID 139234699
CID 139234702
CID 139234702
CID 139234703
CID 139234703
CID 139234704
CID 139234704
CID 139234707
CID 139234707
CID 139234711
CID 139234711
CID 139234712
CID 139234712

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).