N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine

C12H6Cl2N6O2 — CID 168806412

IUPACN-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
SMILESO=[N+]([O-])c1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12
InChIInChI=1S/C12H6Cl2N6O2/c13-6-5-17-12(14)19-11(6)18-8-2-1-7-9(10(8)20(21)22)16-4-3-15-7/h1-5H,(H,17,18,19)
InChIKeyOKDYUHYZRHQIMM-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.38
Rot. Bonds3

About N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine

N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine (PubChem CID 168806412) has the molecular formula C12H6Cl2N6O2 and a molecular weight of 337.13 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
PubChem CID168806412
Molecular FormulaC12H6Cl2N6O2
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
SMILESO=[N+]([O-])c1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12
InChIInChI=1S/C12H6Cl2N6O2/c13-6-5-17-12(14)19-11(6)18-8-2-1-7-9(10(8)20(21)22)16-4-3-15-7/h1-5H,(H,17,18,19)
InChIKeyOKDYUHYZRHQIMM-UHFFFAOYSA-N
XLogP3.38
TPSA106.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine 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

N-(2,5-dichloropyrimidin-4-yl)-4-nitro-1,3-benzothiazol-5-amine
CID 165395243
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide
CID 165394599
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
6-N-(2,5-dichloropyrimidin-4-yl)quinoxaline-5,6-diamine;quinoxaline-5,6-diamine;2,4,5-trichloropyrimidine
CID 167646336
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-chloro-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 114043110
N-(5-bromo-2-chloropyrimidin-4-yl)-8-nitroimidazo[1,2-a]pyridin-7-amine
CID 168806481
6-methyl-5-nitroquinoxaline
CID 55271660
6-N-(5-bromo-2-chloropyrimidin-4-yl)-5-N-methylsulfanylquinoxaline-5,6-diamine;methane
CID 165394607
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine (CID 168806412) is N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine is O=[N+]([O-])c1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine?
The InChIKey is OKDYUHYZRHQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N6O2/c13-6-5-17-12(14)19-11(6)18-8-2-1-7-9(10(8)20(21)22)16-4-3-15-7/h1-5H,(H,17,18,19).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine?
N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine has a molecular weight of 337.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine is sourced from PubChem (CID 168806412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).