1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione

C15H12N2O4 — CID 141375279

IUPAC1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2ccc(=O)[nH]c2=O)cc1-c1ccoc1
InChIInChI=1S/C15H12N2O4/c1-20-13-3-2-11(8-12(13)10-5-7-21-9-10)17-6-4-14(18)16-15(17)19/h2-9H,1H3,(H,16,18,19)
InChIKeyXULHQZVRAKHKNI-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.79
Rot. Bonds3

About 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione

1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione (PubChem CID 141375279) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione
PubChem CID141375279
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2ccc(=O)[nH]c2=O)cc1-c1ccoc1
InChIInChI=1S/C15H12N2O4/c1-20-13-3-2-11(8-12(13)10-5-7-21-9-10)17-6-4-14(18)16-15(17)19/h2-9H,1H3,(H,16,18,19)
InChIKeyXULHQZVRAKHKNI-UHFFFAOYSA-N
XLogP1.79
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-3-yl)-4-methoxybenzoic acid
CID 63948323
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione
CID 170350446
1-(3-chloro-4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404842
2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
CID 12569276
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
CID 22424261
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
CID 170350288
1-[3-tert-butyl-4-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)phenyl]pyrimidine-2,4-dione
CID 25234611
N-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(hydroxyamino)naphthalen-2-yl]-2-methoxyphenyl]methanesulfinamide
CID 143780822
2-(furan-3-yl)-8-methoxy-3H-quinazolin-4-one
CID 137190179
1-[3-tert-butyl-4-methoxy-5-[3-[(methylsulfanylamino)methyl]-1-benzofuran-6-yl]phenyl]pyrimidine-2,4-dione
CID 143780817
N-[6-[3-bromo-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
CID 25235035

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione (CID 141375279) is 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione is COc1ccc(-n2ccc(=O)[nH]c2=O)cc1-c1ccoc1.
What is the InChIKey of 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione?
The InChIKey is XULHQZVRAKHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-13-3-2-11(8-12(13)10-5-7-21-9-10)17-6-4-14(18)16-15(17)19/h2-9H,1H3,(H,16,18,19).
What are the key properties of 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione?
1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 141375279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).