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

C17H11F2N3O2 — CID 135412853

IUPAC[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone
SMILESNc1nccc(-c2cc(C(=O)c3ccc(F)cc3F)ccc2O)n1
InChIInChI=1S/C17H11F2N3O2/c18-10-2-3-11(13(19)8-10)16(24)9-1-4-15(23)12(7-9)14-5-6-21-17(20)22-14/h1-8,23H,(H2,20,21,22)
InChIKeyUOKTURZBPRTBFT-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.94
Rot. Bonds3

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

[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone (PubChem CID 135412853) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone
PubChem CID135412853
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone
SMILESNc1nccc(-c2cc(C(=O)c3ccc(F)cc3F)ccc2O)n1
InChIInChI=1S/C17H11F2N3O2/c18-10-2-3-11(13(19)8-10)16(24)9-1-4-15(23)12(7-9)14-5-6-21-17(20)22-14/h1-8,23H,(H2,20,21,22)
InChIKeyUOKTURZBPRTBFT-UHFFFAOYSA-N
XLogP2.94
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
4-(Difluoromethoxy)-3-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307609
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-(Dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone
CID 44513943

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone (CID 135412853) is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone is Nc1nccc(-c2cc(C(=O)c3ccc(F)cc3F)ccc2O)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone?
The InChIKey is UOKTURZBPRTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-10-2-3-11(13(19)8-10)16(24)9-1-4-15(23)12(7-9)14-5-6-21-17(20)22-14/h1-8,23H,(H2,20,21,22).
What are the key properties of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone?
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone has a molecular weight of 327.29 g/mol, XLogP of 2.94, 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]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 135412853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).