(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol

C13H14FN3O — CID 67350511

IUPAC(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol
SMILESCc1cc(C)nc(C(O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H14FN3O/c1-7-6-8(2)17-13(16-7)12(18)9-4-3-5-10(14)11(9)15/h3-6,12,18H,15H2,1-2H3
InChIKeyDXISJCVTFFQYDC-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.90
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol

(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol (PubChem CID 67350511) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol
PubChem CID67350511
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol
SMILESCc1cc(C)nc(C(O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H14FN3O/c1-7-6-8(2)17-13(16-7)12(18)9-4-3-5-10(14)11(9)15/h3-6,12,18H,15H2,1-2H3
InChIKeyDXISJCVTFFQYDC-UHFFFAOYSA-N
XLogP1.90
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol?
The IUPAC name of (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol (CID 67350511) is (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol?
The canonical SMILES for (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol is Cc1cc(C)nc(C(O)c2cccc(F)c2N)n1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol?
The InChIKey is DXISJCVTFFQYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-6-8(2)17-13(16-7)12(18)9-4-3-5-10(14)11(9)15/h3-6,12,18H,15H2,1-2H3.
What are the key properties of (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol?
(2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol has a molecular weight of 247.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(4,6-dimethylpyrimidin-2-yl)methanol is sourced from PubChem (CID 67350511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).