4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine

C20H18N6 — CID 108777589

IUPAC4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
SMILESCc1cc(C)nc(Nc2ccc(Nc3cnc4ccccc4n3)cc2)n1
InChIInChI=1S/C20H18N6/c1-13-11-14(2)23-20(22-13)25-16-9-7-15(8-10-16)24-19-12-21-17-5-3-4-6-18(17)26-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKGGOCNSAPKNASC-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.52
Rot. Bonds4

About 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine

4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine (PubChem CID 108777589) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
PubChem CID108777589
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
SMILESCc1cc(C)nc(Nc2ccc(Nc3cnc4ccccc4n3)cc2)n1
InChIInChI=1S/C20H18N6/c1-13-11-14(2)23-20(22-13)25-16-9-7-15(8-10-16)24-19-12-21-17-5-3-4-6-18(17)26-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKGGOCNSAPKNASC-UHFFFAOYSA-N
XLogP4.52
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974
N-(4-methylsulfanylphenyl)benzo[g]quinoxalin-3-amine
CID 70166415
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
N-phenylbenzo[g]quinoxalin-3-amine
CID 5273861
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
N-(4-bromophenyl)benzo[g]quinoxalin-3-amine
CID 70165769
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122348391
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
CID 168650971

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine (CID 108777589) is 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine is Cc1cc(C)nc(Nc2ccc(Nc3cnc4ccccc4n3)cc2)n1.
What is the InChIKey of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine?
The InChIKey is KGGOCNSAPKNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-13-11-14(2)23-20(22-13)25-16-9-7-15(8-10-16)24-19-12-21-17-5-3-4-6-18(17)26-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine?
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine has a molecular weight of 342.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 108777589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).