3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione

C19H26N2O4 — CID 42888829

IUPAC3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione
SMILESCc1cc(C(C)(C)C)ccc1OCC(O)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C19H26N2O4/c1-13-10-14(19(2,3)4)6-7-16(13)25-12-15(22)11-21-17(23)8-9-20(5)18(21)24/h6-10,15,22H,11-12H2,1-5H3
InChIKeyQPHIGBXTJQWJLF-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.59
Rot. Bonds5

About 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione

3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione (PubChem CID 42888829) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione
PubChem CID42888829
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione
SMILESCc1cc(C(C)(C)C)ccc1OCC(O)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C19H26N2O4/c1-13-10-14(19(2,3)4)6-7-16(13)25-12-15(22)11-21-17(23)8-9-20(5)18(21)24/h6-10,15,22H,11-12H2,1-5H3
InChIKeyQPHIGBXTJQWJLF-UHFFFAOYSA-N
XLogP1.59
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-3-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-methylpyrimidine-2,4-dione
CID 98368675
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5,5-diethylimidazolidine-2,4-dione
CID 18086988
2-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18205470
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
1-(4-tert-butyl-2-methylphenoxy)-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol
CID 109412266
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796667
2-[2-[2-hydroxy-3-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]propoxy]-5-[2-[4-[2-hydroxy-3-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]propoxy]-3-methylphenyl]propan-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 164776469
1-(4-tert-butyl-2-methylphenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020038
1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-N-methylpyrrolidine-2-carboxamide
CID 86831664
1-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-3-ethylbenzimidazol-2-one
CID 52566018
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 55410209

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione (CID 42888829) is 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione is Cc1cc(C(C)(C)C)ccc1OCC(O)Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is QPHIGBXTJQWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-10-14(19(2,3)4)6-7-16(13)25-12-15(22)11-21-17(23)8-9-20(5)18(21)24/h6-10,15,22H,11-12H2,1-5H3.
What are the key properties of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione?
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 42888829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).