1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione

C10H16N2O3 — CID 66247469

IUPAC1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCN1C(=O)C2COCC2N(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-11-8-6-15-5-7(8)9(13)12(4-2)10(11)14/h7-8H,3-6H2,1-2H3
InChIKeyXWDDIVOLGUEHHT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.31
Rot. Bonds2

About 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione

1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (PubChem CID 66247469) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
PubChem CID66247469
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCN1C(=O)C2COCC2N(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-11-8-6-15-5-7(8)9(13)12(4-2)10(11)14/h7-8H,3-6H2,1-2H3
InChIKeyXWDDIVOLGUEHHT-UHFFFAOYSA-N
XLogP0.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (CID 66247469) is 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is CCN1C(=O)C2COCC2N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The InChIKey is XWDDIVOLGUEHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-11-8-6-15-5-7(8)9(13)12(4-2)10(11)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66247469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).