2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

C14H20N2O3 — CID 141461942

IUPAC2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCCC1(CC)OC(=O)c2c1nc(C(C)(C)C)[nH]c2=O
InChIInChI=1S/C14H20N2O3/c1-6-14(7-2)9-8(11(18)19-14)10(17)16-12(15-9)13(3,4)5/h6-7H2,1-5H3,(H,15,16,17)
InChIKeyBFBICSAFBASANL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.25
Rot. Bonds2

About 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione

2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461942) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461942
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCCC1(CC)OC(=O)c2c1nc(C(C)(C)C)[nH]c2=O
InChIInChI=1S/C14H20N2O3/c1-6-14(7-2)9-8(11(18)19-14)10(17)16-12(15-9)13(3,4)5/h6-7H2,1-5H3,(H,15,16,17)
InChIKeyBFBICSAFBASANL-UHFFFAOYSA-N
XLogP2.25
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461940
2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461941
2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione
CID 141461948
2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461950

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461942) is 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is CCC1(CC)OC(=O)c2c1nc(C(C)(C)C)[nH]c2=O.
What is the InChIKey of 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is BFBICSAFBASANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-6-14(7-2)9-8(11(18)19-14)10(17)16-12(15-9)13(3,4)5/h6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 264.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).