1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone

C20H19N3O2 — CID 117086561

IUPAC1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nccc(NCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C20H19N3O2/c1-14(24)16-3-2-4-17(13-16)20-22-12-10-19(23-20)21-11-9-15-5-7-18(25)8-6-15/h2-8,10,12-13,25H,9,11H2,1H3,(H,21,22,23)
InChIKeyHSNPCCDJPVRABK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.71
Rot. Bonds6

About 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone

1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone (PubChem CID 117086561) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone
PubChem CID117086561
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nccc(NCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C20H19N3O2/c1-14(24)16-3-2-4-17(13-16)20-22-12-10-19(23-20)21-11-9-15-5-7-18(25)8-6-15/h2-8,10,12-13,25H,9,11H2,1H3,(H,21,22,23)
InChIKeyHSNPCCDJPVRABK-UHFFFAOYSA-N
XLogP3.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 117084824
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
CID 126470343
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
1-[3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]phenyl]ethanone
CID 117086225
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
4-[2-[[4-[3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603652
4-[2-[[4-[3-(dimethoxymethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 67045057

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone (CID 117086561) is 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nccc(NCCc3ccc(O)cc3)n2)c1.
What is the InChIKey of 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone?
The InChIKey is HSNPCCDJPVRABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(24)16-3-2-4-17(13-16)20-22-12-10-19(23-20)21-11-9-15-5-7-18(25)8-6-15/h2-8,10,12-13,25H,9,11H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone?
1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone is sourced from PubChem (CID 117086561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).