2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol

C8H12FN3O — CID 103634670

IUPAC2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol
SMILESCc1ncnc(N(C)CCO)c1F
InChIInChI=1S/C8H12FN3O/c1-6-7(9)8(11-5-10-6)12(2)3-4-13/h5,13H,3-4H2,1-2H3
InChIKeyBUJSHAAQMIZTMF-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.35
Rot. Bonds3

About 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol

2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol (PubChem CID 103634670) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol
PubChem CID103634670
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol
SMILESCc1ncnc(N(C)CCO)c1F
InChIInChI=1S/C8H12FN3O/c1-6-7(9)8(11-5-10-6)12(2)3-4-13/h5,13H,3-4H2,1-2H3
InChIKeyBUJSHAAQMIZTMF-UHFFFAOYSA-N
XLogP0.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 108152161
4-(5-Fluoro-4-methylpyrimidin-2-yl)morpholine
CID 89002808
2-(5-Fluoro-4-methylpyrimidin-2-yl)propan-2-ol
CID 89605515
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
1-(5-Fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 118426693
5-fluoro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549378
4-(5-Fluoro-6-methylpyrimidin-4-yl)morpholine
CID 126972140
(5-Fluoro-4-methylpyrimidin-2-yl)methanol
CID 143732565
5-Fluoro-2-(methoxymethyl)-4-methylpyrimidine
CID 163887109
4-[Bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
CID 176929620
2-(Ethyl(4-(trifluoromethyl)pyrimidin-2-yl)amino)ethan-1-ol
CID 56786352
2-[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 60732038

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol (CID 103634670) is 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol is Cc1ncnc(N(C)CCO)c1F.
What is the InChIKey of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is BUJSHAAQMIZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6-7(9)8(11-5-10-6)12(2)3-4-13/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol?
2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 185.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 103634670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).