4-butyl-5-fluoro-N-propylpyrimidin-2-amine

C11H18FN3 — CID 106659320

IUPAC4-butyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCc1nc(NCCC)ncc1F
InChIInChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGBPURUVNDYPTFU-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.78
Rot. Bonds6

About 4-butyl-5-fluoro-N-propylpyrimidin-2-amine

4-butyl-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 106659320) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-butyl-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID106659320
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-butyl-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCc1nc(NCCC)ncc1F
InChIInChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGBPURUVNDYPTFU-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-5-fluoro-N-propylpyrimidin-2-amine 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-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine (CID 106659320) is 4-butyl-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine is CCCCc1nc(NCCC)ncc1F.
What is the InChIKey of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is GBPURUVNDYPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-3-5-6-10-9(12)8-14-11(15-10)13-7-4-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-butyl-5-fluoro-N-propylpyrimidin-2-amine?
4-butyl-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106659320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).