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

C15H18N2O5 — CID 54109675

IUPAC1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C(C)Cn2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9(8-17-14(19)7-13(18)16-15(17)20)10-4-5-11(21-2)12(6-10)22-3/h4-7,9,19H,8H2,1-3H3,(H,16,18,20)
InChIKeyNGFAAZFVPMNWTR-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.06
Rot. Bonds5

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

1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 54109675) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID54109675
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C(C)Cn2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9(8-17-14(19)7-13(18)16-15(17)20)10-4-5-11(21-2)12(6-10)22-3/h4-7,9,19H,8H2,1-3H3,(H,16,18,20)
InChIKeyNGFAAZFVPMNWTR-UHFFFAOYSA-N
XLogP1.06
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
CID 54013042
3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one
CID 22456861
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
6-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 170923877
4-[3-(3,4-dimethoxyphenyl)butyl]phenol
CID 91095418
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
[(1S)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium
CID 7131802
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione (CID 54109675) is 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione is COc1ccc(C(C)Cn2c(O)cc(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is NGFAAZFVPMNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9(8-17-14(19)7-13(18)16-15(17)20)10-4-5-11(21-2)12(6-10)22-3/h4-7,9,19H,8H2,1-3H3,(H,16,18,20).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione?
1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54109675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).