2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol

C8H12FN3O — CID 131159973

IUPAC2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(C)c(F)c(NCCO)n1
InChIInChI=1S/C8H12FN3O/c1-5-7(9)8(10-3-4-13)12-6(2)11-5/h13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPRTXPAWKVQLBQI-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.64
Rot. Bonds3

About 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol

2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol (PubChem CID 131159973) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol
PubChem CID131159973
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(C)c(F)c(NCCO)n1
InChIInChI=1S/C8H12FN3O/c1-5-7(9)8(10-3-4-13)12-6(2)11-5/h13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPRTXPAWKVQLBQI-UHFFFAOYSA-N
XLogP0.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol (CID 131159973) is 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol is Cc1nc(C)c(F)c(NCCO)n1.
What is the InChIKey of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol?
The InChIKey is PRTXPAWKVQLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-5-7(9)8(10-3-4-13)12-6(2)11-5/h13H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol?
2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol has a molecular weight of 185.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 131159973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).