5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C11H13FN4S — CID 80850379

IUPAC5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C11H13FN4S/c1-2-4-13-11-14-6-9(12)10(16-11)15-8-3-5-17-7-8/h3,5-7H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyXMUAICHHAARCND-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.24
Rot. Bonds5

About 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80850379) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80850379
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C11H13FN4S/c1-2-4-13-11-14-6-9(12)10(16-11)15-8-3-5-17-7-8/h3,5-7H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyXMUAICHHAARCND-UHFFFAOYSA-N
XLogP3.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-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 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80850379) is 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(Nc2ccsc2)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is XMUAICHHAARCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-2-4-13-11-14-6-9(12)10(16-11)15-8-3-5-17-7-8/h3,5-7H,2,4H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80850379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).