[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol

C13H14FN3O — CID 113232104

IUPAC[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1ncnc(NCc2cccc(CO)c2)c1F
InChIInChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyKFKBFNILOCNCMY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.03
Rot. Bonds4

About [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol

[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 113232104) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID113232104
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1ncnc(NCc2cccc(CO)c2)c1F
InChIInChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyKFKBFNILOCNCMY-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197098
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile
CID 145293457
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 113232104) is [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is Cc1ncnc(NCc2cccc(CO)c2)c1F.
What is the InChIKey of [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is KFKBFNILOCNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17).
What are the key properties of [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 247.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 113232104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).