4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one

C23H23N3O5 — CID 135900164

IUPAC4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(-c3ccc(OCC(=O)N4CCOCC4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C23H23N3O5/c1-15-12-17(4-7-21(15)27)20-13-19(24-23(29)25-20)16-2-5-18(6-3-16)31-14-22(28)26-8-10-30-11-9-26/h2-7,12-13,27H,8-11,14H2,1H3,(H,24,25,29)
InChIKeyGXKGJATUMKRNBO-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.36
Rot. Bonds5

About 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one

4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one (PubChem CID 135900164) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
PubChem CID135900164
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(-c3ccc(OCC(=O)N4CCOCC4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C23H23N3O5/c1-15-12-17(4-7-21(15)27)20-13-19(24-23(29)25-20)16-2-5-18(6-3-16)31-14-22(28)26-8-10-30-11-9-26/h2-7,12-13,27H,8-11,14H2,1H3,(H,24,25,29)
InChIKeyGXKGJATUMKRNBO-UHFFFAOYSA-N
XLogP2.36
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172661465
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]-N-methyl-N-(1-methyl-2H-pyrimidin-4-yl)acetamide
CID 142702028
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone
CID 141271807
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 170920910

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one (CID 135900164) is 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one is Cc1cc(-c2cc(-c3ccc(OCC(=O)N4CCOCC4)cc3)[nH]c(=O)n2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one?
The InChIKey is GXKGJATUMKRNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15-12-17(4-7-21(15)27)20-13-19(24-23(29)25-20)16-2-5-18(6-3-16)31-14-22(28)26-8-10-30-11-9-26/h2-7,12-13,27H,8-11,14H2,1H3,(H,24,25,29).
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one?
4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one has a molecular weight of 421.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 135900164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).