6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine

C10H5Cl2FN4O2 — CID 62101185

IUPAC6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H5Cl2FN4O2/c11-5-1-2-6(13)7(3-5)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyAYQVGYZOKQHMQZ-UHFFFAOYSA-N
MW303.08 g/mol
LogP3.57
Rot. Bonds3

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

6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine (PubChem CID 62101185) has the molecular formula C10H5Cl2FN4O2 and a molecular weight of 303.08 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
PubChem CID62101185
Molecular FormulaC10H5Cl2FN4O2
Molecular Weight303.08 g/mol
Exact Mass301.98
IUPAC Name6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H5Cl2FN4O2/c11-5-1-2-6(13)7(3-5)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyAYQVGYZOKQHMQZ-UHFFFAOYSA-N
XLogP3.57
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 53.57
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

N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565
6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
CID 107645593
6-N-(4-chloro-2-methylphenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485163
6-N-(3-chlorophenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532572
4-N-(2,5-dichlorophenyl)-6-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530862
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
4-N-(2,5-dichlorophenyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485490
4-N-(5-bromo-2-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80787644
N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 114261082
4-N-(2,5-difluorophenyl)-6-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479539

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine (CID 62101185) is 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine?
The InChIKey is AYQVGYZOKQHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN4O2/c11-5-1-2-6(13)7(3-5)16-10-8(17(18)19)9(12)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine?
6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine has a molecular weight of 303.08 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 62101185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).