2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol

C12H12FN3O — CID 116902199

IUPAC2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol
SMILESNC(CO)c1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)11-4-5-15-12(16-11)10(14)7-17/h1-6,10,17H,7,14H2
InChIKeyCDYFZPWABSRILD-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol

2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol (PubChem CID 116902199) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol
PubChem CID116902199
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol
SMILESNC(CO)c1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)11-4-5-15-12(16-11)10(14)7-17/h1-6,10,17H,7,14H2
InChIKeyCDYFZPWABSRILD-UHFFFAOYSA-N
XLogP1.27
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164
[1-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902504
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
CID 116900284
2-[2-(3-fluorophenyl)-4-pyridinyl]ethanol
CID 117001633
3-[4-(3-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901153
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 155280919
2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 167812738
3-amino-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902333

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol (CID 116902199) is 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol is NC(CO)c1nccc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol?
The InChIKey is CDYFZPWABSRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)11-4-5-15-12(16-11)10(14)7-17/h1-6,10,17H,7,14H2.
What are the key properties of 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol?
2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol has a molecular weight of 233.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116902199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).