[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone

C17H12FN3O2 — CID 135412826

IUPAC[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone
SMILESNc1nccc(-c2cc(C(=O)c3ccccc3F)ccc2O)n1
InChIInChI=1S/C17H12FN3O2/c18-13-4-2-1-3-11(13)16(23)10-5-6-15(22)12(9-10)14-7-8-20-17(19)21-14/h1-9,22H,(H2,19,20,21)
InChIKeyNSBCJUJXNIMGPD-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.80
Rot. Bonds3

About [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone

[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone (PubChem CID 135412826) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone
PubChem CID135412826
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone
SMILESNc1nccc(-c2cc(C(=O)c3ccccc3F)ccc2O)n1
InChIInChI=1S/C17H12FN3O2/c18-13-4-2-1-3-11(13)16(23)10-5-6-15(22)12(9-10)14-7-8-20-17(19)21-14/h1-9,22H,(H2,19,20,21)
InChIKeyNSBCJUJXNIMGPD-UHFFFAOYSA-N
XLogP2.80
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone 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

4-[[4-(4-Fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid
CID 145977291
4-Hydroxy-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72201876
2-Hydroxy-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307592
2-Hydroxy-5-pyrimidin-4-ylbenzoic acid
CID 136316866
4-(Trifluoromethoxy)-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307595
3-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzoic acid
CID 118307644
4-(Difluoromethoxy)-3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307661
2-[2-Amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol
CID 135960793
2-[2-Amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
CID 135960798
2-[2-Amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 135960806
(2-Hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 101492769
(2-Hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 135006712

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone (CID 135412826) is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone is Nc1nccc(-c2cc(C(=O)c3ccccc3F)ccc2O)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone?
The InChIKey is NSBCJUJXNIMGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-4-2-1-3-11(13)16(23)10-5-6-15(22)12(9-10)14-7-8-20-17(19)21-14/h1-9,22H,(H2,19,20,21).
What are the key properties of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone?
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone has a molecular weight of 309.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 135412826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).