2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol

C12H20FN3O — CID 103844361

IUPAC2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3O/c1-4-12(5-2,7-17)6-14-11-10(13)9(3)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyQAJOWFTVORMLHO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds6

About 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol (PubChem CID 103844361) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
PubChem CID103844361
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3O/c1-4-12(5-2,7-17)6-14-11-10(13)9(3)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyQAJOWFTVORMLHO-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609103
N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 102609291
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
3-[Cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol
CID 102846781
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103269839
2-[(5-Fluoro-6-methylpyrimidin-4-yl)-methylamino]ethanol
CID 103634670
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103634682
4-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 103634700
5-fluoro-6-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 103634900
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 103634933
N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103634936

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol (CID 103844361) is 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1ncnc(C)c1F.
What is the InChIKey of 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol?
The InChIKey is QAJOWFTVORMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-12(5-2,7-17)6-14-11-10(13)9(3)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103844361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).