2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine

C10H6Cl2N4O2 — CID 142497262

IUPAC2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H6Cl2N4O2/c11-6-5-13-10(12)15-9(6)14-7-3-1-2-4-8(7)16(17)18/h1-5H,(H,13,14,15)
InChIKeyZDHUOHXJOTTYGN-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.44
Rot. Bonds3

About 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine

2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 142497262) has the molecular formula C10H6Cl2N4O2 and a molecular weight of 285.09 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID142497262
Molecular FormulaC10H6Cl2N4O2
Molecular Weight285.09 g/mol
Exact Mass283.99
IUPAC Name2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H6Cl2N4O2/c11-6-5-13-10(12)15-9(6)14-7-3-1-2-4-8(7)16(17)18/h1-5H,(H,13,14,15)
InChIKeyZDHUOHXJOTTYGN-UHFFFAOYSA-N
XLogP3.44
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-nitrobenzenesulfonamide;2,4,5-trichloropyrimidine
CID 159124840
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 114043345
N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
CID 168806412
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
2-chloro-N-(3-iodo-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 114257791
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
N-(2,5-dichloropyrimidin-4-yl)-4-nitro-1,3-benzothiazol-5-amine
CID 165395243
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine (CID 142497262) is 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine is O=[N+]([O-])c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is ZDHUOHXJOTTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2/c11-6-5-13-10(12)15-9(6)14-7-3-1-2-4-8(7)16(17)18/h1-5H,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 285.09 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 142497262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).