6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine

C10H12F5N3O — CID 80877973

IUPAC6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-2-3-6-7(16)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H2,16,17,18)
InChIKeyDVUZWVWOLJJJQK-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.59
Rot. Bonds5

About 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine

6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine (PubChem CID 80877973) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine
PubChem CID80877973
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-2-3-6-7(16)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H2,16,17,18)
InChIKeyDVUZWVWOLJJJQK-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-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 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine (CID 80877973) is 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1OCC(F)(F)C(F)(F)F.
What is the InChIKey of 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine?
The InChIKey is DVUZWVWOLJJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-2-3-6-7(16)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine?
6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine has a molecular weight of 285.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3,3-pentafluoropropoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80877973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).