[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol

C12H12FN3O — CID 106197098

IUPAC[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cc(F)ncn2)c1
InChIInChI=1S/C12H12FN3O/c13-11-5-12(16-8-15-11)14-6-9-2-1-3-10(4-9)7-17/h1-5,8,17H,6-7H2,(H,14,15,16)
InChIKeyWCIDUVBHKFKCGO-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.72
Rot. Bonds4

About [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol

[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 106197098) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID106197098
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2cc(F)ncn2)c1
InChIInChI=1S/C12H12FN3O/c13-11-5-12(16-8-15-11)14-6-9-2-1-3-10(4-9)7-17/h1-5,8,17H,6-7H2,(H,14,15,16)
InChIKeyWCIDUVBHKFKCGO-UHFFFAOYSA-N
XLogP1.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fenyripol Hydrochloride
CID 17118
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
(1R)-2-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918507
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
Fenyripol
CID 17119
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]phenyl]methanol
CID 14999832
(3-(6-((3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl)pyrimidin-4-yl)phenyl)methanol
CID 44433233
[4-(4-Fluoroanilino)pyrimidin-5-yl]-phenylmethanol
CID 137633343
2-[[6-(3-Methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204529
(1R)-2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44205150

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 106197098) is [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNc2cc(F)ncn2)c1.
What is the InChIKey of [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is WCIDUVBHKFKCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-11-5-12(16-8-15-11)14-6-9-2-1-3-10(4-9)7-17/h1-5,8,17H,6-7H2,(H,14,15,16).
What are the key properties of [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 233.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).