5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile

C26H20N4 — CID 129222599

IUPAC5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cnc(C#N)nc3)cc2)c2ccccc21
InChIInChI=1S/C26H20N4/c1-26(2)21-7-3-5-9-23(21)30(24-10-6-4-8-22(24)26)20-13-11-18(12-14-20)19-16-28-25(15-27)29-17-19/h3-14,16-17H,1-2H3
InChIKeyJBMSXVZJFIIGRC-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.12
Rot. Bonds2

About 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile

5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile (PubChem CID 129222599) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile
PubChem CID129222599
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cnc(C#N)nc3)cc2)c2ccccc21
InChIInChI=1S/C26H20N4/c1-26(2)21-7-3-5-9-23(21)30(24-10-6-4-8-22(24)26)20-13-11-18(12-14-20)19-16-28-25(15-27)29-17-19/h3-14,16-17H,1-2H3
InChIKeyJBMSXVZJFIIGRC-UHFFFAOYSA-N
XLogP6.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile 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 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile (CID 129222599) is 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile is CC1(C)c2ccccc2N(c2ccc(-c3cnc(C#N)nc3)cc2)c2ccccc21.
What is the InChIKey of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile?
The InChIKey is JBMSXVZJFIIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-26(2)21-7-3-5-9-23(21)30(24-10-6-4-8-22(24)26)20-13-11-18(12-14-20)19-16-28-25(15-27)29-17-19/h3-14,16-17H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile?
5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 129222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).