2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide

C20H19N3O3 — CID 174484937

IUPAC2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide
SMILESCC(O)(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(O)cc2)ncn1
InChIInChI=1S/C20H19N3O3/c1-20(26,12-14-5-3-2-4-6-14)19(25)23-18-11-17(21-13-22-18)15-7-9-16(24)10-8-15/h2-11,13,24,26H,12H2,1H3,(H,21,22,23,25)
InChIKeyUBVWSWUIWITGLZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.78
Rot. Bonds5

About 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide

2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide (PubChem CID 174484937) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide
PubChem CID174484937
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide
SMILESCC(O)(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(O)cc2)ncn1
InChIInChI=1S/C20H19N3O3/c1-20(26,12-14-5-3-2-4-6-14)19(25)23-18-11-17(21-13-22-18)15-7-9-16(24)10-8-15/h2-11,13,24,26H,12H2,1H3,(H,21,22,23,25)
InChIKeyUBVWSWUIWITGLZ-UHFFFAOYSA-N
XLogP2.78
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide (CID 174484937) is 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide is CC(O)(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(O)cc2)ncn1.
What is the InChIKey of 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide?
The InChIKey is UBVWSWUIWITGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-20(26,12-14-5-3-2-4-6-14)19(25)23-18-11-17(21-13-22-18)15-7-9-16(24)10-8-15/h2-11,13,24,26H,12H2,1H3,(H,21,22,23,25).
What are the key properties of 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide?
2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide has a molecular weight of 349.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 174484937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).