2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine

C10H5Cl3N4O2 — CID 114043345

IUPAC2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H5Cl3N4O2/c11-5-2-1-3-6(12)8(5)15-9-7(17(18)19)4-14-10(13)16-9/h1-4H,(H,14,15,16)
InChIKeyZZCRHHOZMLUYDB-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine

2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine (PubChem CID 114043345) has the molecular formula C10H5Cl3N4O2 and a molecular weight of 319.54 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine
PubChem CID114043345
Molecular FormulaC10H5Cl3N4O2
Molecular Weight319.54 g/mol
Exact Mass317.95
IUPAC Name2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H5Cl3N4O2/c11-5-2-1-3-6(12)8(5)15-9-7(17(18)19)4-14-10(13)16-9/h1-4H,(H,14,15,16)
InChIKeyZZCRHHOZMLUYDB-UHFFFAOYSA-N
XLogP4.09
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.09
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-chloro-N-(3-iodo-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 114257791
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
[4-[(2-chloro-5-nitropyrimidin-4-yl)amino]phenyl]carbamic acid
CID 174840132
2-chloro-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 114043110
6-(2,6-dichloroanilino)-5-nitropyridine-3-carboxylic acid
CID 81448213
8-[(2-chloro-5-nitropyrimidin-4-yl)amino]-3,4-dihydro-1H-naphthalen-2-one
CID 87956451
2-chloro-N-methyl-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine
CID 158883695
2-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 89428713
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451
5-[(2-chloro-5-nitropyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 142478716
3-[3-chloro-4-[(2-chloro-5-nitropyrimidin-4-yl)amino]-5-fluorophenyl]prop-2-enenitrile
CID 91459150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine (CID 114043345) is 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1cnc(Cl)nc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine?
The InChIKey is ZZCRHHOZMLUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N4O2/c11-5-2-1-3-6(12)8(5)15-9-7(17(18)19)4-14-10(13)16-9/h1-4H,(H,14,15,16).
What are the key properties of 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine?
2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine has a molecular weight of 319.54 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dichlorophenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).