1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione

C15H18N2O5 — CID 54167729

IUPAC1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(CCCn2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-21-11-6-5-10(8-12(11)22-2)4-3-7-17-14(19)9-13(18)16-15(17)20/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,18,20)
InChIKeyOSUZRTIVTFSTCY-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.89
Rot. Bonds6

About 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione

1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 54167729) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID54167729
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(CCCn2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-21-11-6-5-10(8-12(11)22-2)4-3-7-17-14(19)9-13(18)16-15(17)20/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,18,20)
InChIKeyOSUZRTIVTFSTCY-UHFFFAOYSA-N
XLogP0.89
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
CID 106260066
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
CID 54013042
1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54109675
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
6-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 170923877
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide
CID 22422815
N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
CID 106338298
3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one
CID 54315804
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione (CID 54167729) is 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione is COc1ccc(CCCn2c(O)cc(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is OSUZRTIVTFSTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-11-6-5-10(8-12(11)22-2)4-3-7-17-14(19)9-13(18)16-15(17)20/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,16,18,20).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54167729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).