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

C13H14FN3O2 — CID 116902164

IUPAC2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
SMILESCOc1ccc(-c2ccnc(C(N)CO)n2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-19-12-3-2-8(6-9(12)14)11-4-5-16-13(17-11)10(15)7-18/h2-6,10,18H,7,15H2,1H3
InChIKeyFPYWOPJTIKOVFP-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.28
Rot. Bonds4

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

2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol (PubChem CID 116902164) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
PubChem CID116902164
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
SMILESCOc1ccc(-c2ccnc(C(N)CO)n2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-19-12-3-2-8(6-9(12)14)11-4-5-16-13(17-11)10(15)7-18/h2-6,10,18H,7,15H2,1H3
InChIKeyFPYWOPJTIKOVFP-UHFFFAOYSA-N
XLogP1.28
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62921233
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol (CID 116902164) is 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol is COc1ccc(-c2ccnc(C(N)CO)n2)cc1F.
What is the InChIKey of 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The InChIKey is FPYWOPJTIKOVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-12-3-2-8(6-9(12)14)11-4-5-16-13(17-11)10(15)7-18/h2-6,10,18H,7,15H2,1H3.
What are the key properties of 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol has a molecular weight of 263.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116902164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).