9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione

C23H19N3O3 — CID 72949924

IUPAC9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3cncnc3C1=O)C2c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-23(2)8-14-17(15(27)9-23)16(12-6-4-3-5-7-12)18-20(26-14)22(29)19-13(21(18)28)10-24-11-25-19/h3-7,10-11,16,26H,8-9H2,1-2H3
InChIKeyGCBDSLVHVULEMC-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.14
Rot. Bonds1

About 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione

9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione (PubChem CID 72949924) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione.

Molecular Properties

Compound Name9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione
PubChem CID72949924
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3cncnc3C1=O)C2c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-23(2)8-14-17(15(27)9-23)16(12-6-4-3-5-7-12)18-20(26-14)22(29)19-13(21(18)28)10-24-11-25-19/h3-7,10-11,16,26H,8-9H2,1-2H3
InChIKeyGCBDSLVHVULEMC-UHFFFAOYSA-N
XLogP3.14
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione?
The IUPAC name of 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione (CID 72949924) is 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione.
What is the SMILES notation for 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione?
The canonical SMILES for 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3cncnc3C1=O)C2c1ccccc1.
What is the InChIKey of 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione?
The InChIKey is GCBDSLVHVULEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-23(2)8-14-17(15(27)9-23)16(12-6-4-3-5-7-12)18-20(26-14)22(29)19-13(21(18)28)10-24-11-25-19/h3-7,10-11,16,26H,8-9H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione?
9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione has a molecular weight of 385.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydropyrimido[5,4-b]acridine-5,7,12-trione is sourced from PubChem (CID 72949924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).