2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine

C7H11FN4S — CID 81106866

IUPAC2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCCF)n1
InChIInChI=1S/C7H11FN4S/c8-2-1-3-13-7-11-5(9)4-6(10)12-7/h4H,1-3H2,(H4,9,10,11,12)
InChIKeyAFCNTZHNRDJPAZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.09
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine

2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 81106866) has the molecular formula C7H11FN4S and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine
PubChem CID81106866
Molecular FormulaC7H11FN4S
Molecular Weight202.26 g/mol
Exact Mass202.07
IUPAC Name2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCCF)n1
InChIInChI=1S/C7H11FN4S/c8-2-1-3-13-7-11-5(9)4-6(10)12-7/h4H,1-3H2,(H4,9,10,11,12)
InChIKeyAFCNTZHNRDJPAZ-UHFFFAOYSA-N
XLogP1.09
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-fluoropropylsulfanyl)pyrimidine-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-fluoropropylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine (CID 81106866) is 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCCF)n1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is AFCNTZHNRDJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4S/c8-2-1-3-13-7-11-5(9)4-6(10)12-7/h4H,1-3H2,(H4,9,10,11,12).
What are the key properties of 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine?
2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 81106866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).