4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine

C15H10ClFN6O2 — CID 22527773

IUPAC4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccc2F)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H10ClFN6O2/c16-13-11(6-3-7-18-13)22-15-12(23(24)25)14(19-8-20-15)21-10-5-2-1-4-9(10)17/h1-8H,(H2,19,20,21,22)
InChIKeyARVWSTPDGZCUCY-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.06
Rot. Bonds5

About 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine

4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 22527773) has the molecular formula C15H10ClFN6O2 and a molecular weight of 360.74 g/mol. Its IUPAC name is 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
PubChem CID22527773
Molecular FormulaC15H10ClFN6O2
Molecular Weight360.74 g/mol
Exact Mass360.05
IUPAC Name4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccc2F)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H10ClFN6O2/c16-13-11(6-3-7-18-13)22-15-12(23(24)25)14(19-8-20-15)21-10-5-2-1-4-9(10)17/h1-8H,(H2,19,20,21,22)
InChIKeyARVWSTPDGZCUCY-UHFFFAOYSA-N
XLogP4.06
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CID 22527773) is 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1Nc1cccnc1Cl.
What is the InChIKey of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is ARVWSTPDGZCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6O2/c16-13-11(6-3-7-18-13)22-15-12(23(24)25)14(19-8-20-15)21-10-5-2-1-4-9(10)17/h1-8H,(H2,19,20,21,22).
What are the key properties of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 360.74 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 22527773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).