4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

C14H14N2O5 — CID 3467312

IUPAC4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)NC3=C2C(=O)OC3)cc1OC
InChIInChI=1S/C14H14N2O5/c1-19-9-4-3-7(5-10(9)20-2)12-11-8(6-21-13(11)17)15-14(18)16-12/h3-5,12H,6H2,1-2H3,(H2,15,16,18)
InChIKeyIKYHYOUQUVMZFZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.87
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 3467312) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID3467312
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)NC3=C2C(=O)OC3)cc1OC
InChIInChI=1S/C14H14N2O5/c1-19-9-4-3-7(5-10(9)20-2)12-11-8(6-21-13(11)17)15-14(18)16-12/h3-5,12H,6H2,1-2H3,(H2,15,16,18)
InChIKeyIKYHYOUQUVMZFZ-UHFFFAOYSA-N
XLogP0.87
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7571677
4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3230407
4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 102567371
4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3411631
4-(3,4-dimethoxyphenyl)-6-(2-methylpropyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 18580737
(4R)-4-(3,4-dimethoxyphenyl)-6-(2-methylpropyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42547889
(4R)-4-(3,4-dimethoxyphenyl)-6-(3-phenylpropyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42099481
methyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 3103530
(9R)-6,7-dimethoxy-9-phenyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 102133784
(8R)-8-(4-ethoxy-3-methoxyphenyl)-11,13-dimethyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 7253961
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (CID 3467312) is 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is COc1ccc(C2NC(=O)NC3=C2C(=O)OC3)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is IKYHYOUQUVMZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-19-9-4-3-7(5-10(9)20-2)12-11-8(6-21-13(11)17)15-14(18)16-12/h3-5,12H,6H2,1-2H3,(H2,15,16,18).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 290.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3467312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).