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

C12H11ClN2O3 — CID 66239525

IUPAC3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
SMILESO=C1NC2COCC2C(=O)N1c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-8-3-1-2-4-10(8)15-11(16)7-5-18-6-9(7)14-12(15)17/h1-4,7,9H,5-6H2,(H,14,17)
InChIKeyFZKXFZGEPUYWRW-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.41
Rot. Bonds1

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

3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione (PubChem CID 66239525) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
PubChem CID66239525
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione
SMILESO=C1NC2COCC2C(=O)N1c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-8-3-1-2-4-10(8)15-11(16)7-5-18-6-9(7)14-12(15)17/h1-4,7,9H,5-6H2,(H,14,17)
InChIKeyFZKXFZGEPUYWRW-UHFFFAOYSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione (CID 66239525) is 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione is O=C1NC2COCC2C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FZKXFZGEPUYWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-3-1-2-4-10(8)15-11(16)7-5-18-6-9(7)14-12(15)17/h1-4,7,9H,5-6H2,(H,14,17).
What are the key properties of 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione?
3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4a,5,7,7a-tetrahydro-1H-furo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66239525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).