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

C25H25N7O — CID 122348779

IUPAC[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(Nc2cc(N3CCN(C(=O)c4ccc5nccnc5c4)CC3)nc(C)n2)cc1
InChIInChI=1S/C25H25N7O/c1-17-3-6-20(7-4-17)30-23-16-24(29-18(2)28-23)31-11-13-32(14-12-31)25(33)19-5-8-21-22(15-19)27-10-9-26-21/h3-10,15-16H,11-14H2,1-2H3,(H,28,29,30)
InChIKeyGMOKHPAYRHLELY-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.74
Rot. Bonds4

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

[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 122348779) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID122348779
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(Nc2cc(N3CCN(C(=O)c4ccc5nccnc5c4)CC3)nc(C)n2)cc1
InChIInChI=1S/C25H25N7O/c1-17-3-6-20(7-4-17)30-23-16-24(29-18(2)28-23)31-11-13-32(14-12-31)25(33)19-5-8-21-22(15-19)27-10-9-26-21/h3-10,15-16H,11-14H2,1-2H3,(H,28,29,30)
InChIKeyGMOKHPAYRHLELY-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-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-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

2,1,3-benzothiadiazol-5-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348649
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348603
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348584
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50748493
1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748323
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
3-methyl-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748360
2-(4-methoxyphenoxy)-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122348677
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348701

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone (CID 122348779) is [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone is Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc5nccnc5c4)CC3)nc(C)n2)cc1.
What is the InChIKey of [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is GMOKHPAYRHLELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17-3-6-20(7-4-17)30-23-16-24(29-18(2)28-23)31-11-13-32(14-12-31)25(33)19-5-8-21-22(15-19)27-10-9-26-21/h3-10,15-16H,11-14H2,1-2H3,(H,28,29,30).
What are the key properties of [4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone?
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-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-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 122348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).