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

C15H10ClFN6O2 — CID 22527659

IUPAC4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1F
InChIInChI=1S/C15H10ClFN6O2/c16-9-5-6-12(18-7-9)22-15-13(23(24)25)14(19-8-20-15)21-11-4-2-1-3-10(11)17/h1-8H,(H2,18,19,20,21,22)
InChIKeyCBOKKXKODXWFAV-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.06
Rot. Bonds5

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

4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 22527659) has the molecular formula C15H10ClFN6O2 and a molecular weight of 360.74 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
PubChem CID22527659
Molecular FormulaC15H10ClFN6O2
Molecular Weight360.74 g/mol
Exact Mass360.05
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1F
InChIInChI=1S/C15H10ClFN6O2/c16-9-5-6-12(18-7-9)22-15-13(23(24)25)14(19-8-20-15)21-11-4-2-1-3-10(11)17/h1-8H,(H2,18,19,20,21,22)
InChIKeyCBOKKXKODXWFAV-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CID 22527659) is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1F.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is CBOKKXKODXWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6O2/c16-9-5-6-12(18-7-9)22-15-13(23(24)25)14(19-8-20-15)21-11-4-2-1-3-10(11)17/h1-8H,(H2,18,19,20,21,22).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
4-N-(5-chloro-2-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-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 22527659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).