4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C12H19FN4O — CID 80798443

IUPAC4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCOC1CCN(c2nc(NC)ncc2F)CC1
InChIInChI=1S/C12H19FN4O/c1-3-18-9-4-6-17(7-5-9)11-10(13)8-15-12(14-2)16-11/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDXICCZMHZQTCGI-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds4

About 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80798443) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80798443
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCOC1CCN(c2nc(NC)ncc2F)CC1
InChIInChI=1S/C12H19FN4O/c1-3-18-9-4-6-17(7-5-9)11-10(13)8-15-12(14-2)16-11/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDXICCZMHZQTCGI-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-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-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80798443) is 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CCOC1CCN(c2nc(NC)ncc2F)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is DXICCZMHZQTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-18-9-4-6-17(7-5-9)11-10(13)8-15-12(14-2)16-11/h8-9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).