[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C25H25N7O — CID 122348391

IUPAC[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1
InChIInChI=1S/C25H25N7O/c1-17-7-9-19(10-8-17)28-25-27-18(2)15-23(30-25)31-11-13-32(14-12-31)24(33)22-16-26-20-5-3-4-6-21(20)29-22/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,30)
InChIKeyKBKHIEYGPPRAQA-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.74
Rot. Bonds4

About [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 122348391) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID122348391
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1
InChIInChI=1S/C25H25N7O/c1-17-7-9-19(10-8-17)28-25-27-18(2)15-23(30-25)31-11-13-32(14-12-31)24(33)22-16-26-20-5-3-4-6-21(20)29-22/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,30)
InChIKeyKBKHIEYGPPRAQA-UHFFFAOYSA-N
XLogP3.74
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone 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

[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348327
1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122348463
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122348394
(3-fluorophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047662
(3-bromophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121090329
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 122348479
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741431
(2,5-dichlorothiophen-3-yl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348487
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122348444
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341062

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 122348391) is [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1.
What is the InChIKey of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is KBKHIEYGPPRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17-7-9-19(10-8-17)28-25-27-18(2)15-23(30-25)31-11-13-32(14-12-31)24(33)22-16-26-20-5-3-4-6-21(20)29-22/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,30).
What are the key properties of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 439.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 122348391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).