2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol

C12H19FN4O — CID 103867410

IUPAC2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1ncnc(N2CCN(CCO)CC2)c1F
InChIInChI=1S/C12H19FN4O/c1-2-10-11(13)12(15-9-14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,2-8H2,1H3
InChIKeyUVEYIYWVIKDSPZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.29
Rot. Bonds4

About 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 103867410) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID103867410
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1ncnc(N2CCN(CCO)CC2)c1F
InChIInChI=1S/C12H19FN4O/c1-2-10-11(13)12(15-9-14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,2-8H2,1H3
InChIKeyUVEYIYWVIKDSPZ-UHFFFAOYSA-N
XLogP0.29
TPSA52.49 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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol 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 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol (CID 103867410) is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol is CCc1ncnc(N2CCN(CCO)CC2)c1F.
What is the InChIKey of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is UVEYIYWVIKDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-10-11(13)12(15-9-14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,2-8H2,1H3.
What are the key properties of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 254.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 103867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).