3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione

C13H14N2O3 — CID 66240717

IUPAC3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(N2C(=O)NC3COCC3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-2-4-9(5-3-8)15-12(16)10-6-18-7-11(10)14-13(15)17/h2-5,10-11H,6-7H2,1H3,(H,14,17)
InChIKeyUYIIOSOFJFYDBP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.07
Rot. Bonds1

About 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione

3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione (PubChem CID 66240717) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
PubChem CID66240717
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(N2C(=O)NC3COCC3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-2-4-9(5-3-8)15-12(16)10-6-18-7-11(10)14-13(15)17/h2-5,10-11H,6-7H2,1H3,(H,14,17)
InChIKeyUYIIOSOFJFYDBP-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione (CID 66240717) is 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione is Cc1ccc(N2C(=O)NC3COCC3C2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is UYIIOSOFJFYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-2-4-9(5-3-8)15-12(16)10-6-18-7-11(10)14-13(15)17/h2-5,10-11H,6-7H2,1H3,(H,14,17).
What are the key properties of 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66240717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).