2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine

C10H10FN5S — CID 61297881

IUPAC2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(F)cc(Sc2nc(N)cc(N)n2)c1
InChIInChI=1S/C10H10FN5S/c11-5-1-6(12)3-7(2-5)17-10-15-8(13)4-9(14)16-10/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyIDXIKKWRWRJSGR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds2

About 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine

2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine (PubChem CID 61297881) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine
PubChem CID61297881
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC Name2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(F)cc(Sc2nc(N)cc(N)n2)c1
InChIInChI=1S/C10H10FN5S/c11-5-1-6(12)3-7(2-5)17-10-15-8(13)4-9(14)16-10/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyIDXIKKWRWRJSGR-UHFFFAOYSA-N
XLogP1.51
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-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 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine (CID 61297881) is 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine is Nc1cc(F)cc(Sc2nc(N)cc(N)n2)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is IDXIKKWRWRJSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c11-5-1-6(12)3-7(2-5)17-10-15-8(13)4-9(14)16-10/h1-4H,12H2,(H4,13,14,15,16).
What are the key properties of 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine?
2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 251.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 61297881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).