1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol

C12H19FN4O — CID 81107549

IUPAC1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRJVBZZKZNHUQLT-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds3

About 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81107549) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81107549
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRJVBZZKZNHUQLT-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol 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 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81107549) is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol is CCNc1ncc(F)c(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is RJVBZZKZNHUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 254.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81107549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).