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

C11H18N2O3 — CID 66264963

IUPAC3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCCCN1C(=O)C2COCC2N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-4-5-13-10(14)8-6-16-7-9(8)12(2)11(13)15/h8-9H,3-7H2,1-2H3
InChIKeyBTOYPLYFKAYUKM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.70
Rot. Bonds3

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

3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (PubChem CID 66264963) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
PubChem CID66264963
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
SMILESCCCCN1C(=O)C2COCC2N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-4-5-13-10(14)8-6-16-7-9(8)12(2)11(13)15/h8-9H,3-7H2,1-2H3
InChIKeyBTOYPLYFKAYUKM-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione (CID 66264963) is 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is CCCCN1C(=O)C2COCC2N(C)C1=O.
What is the InChIKey of 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
The InChIKey is BTOYPLYFKAYUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-5-13-10(14)8-6-16-7-9(8)12(2)11(13)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione?
3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66264963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).