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

C12H16N2O3 — CID 141461941

IUPAC2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C12H16N2O3/c1-11(2,3)10-13-7-6(8(15)14-10)9(16)17-12(7,4)5/h1-5H3,(H,13,14,15)
InChIKeyKAPPKDJZVNSXKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.47
Rot. Bonds

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

2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461941) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461941
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C12H16N2O3/c1-11(2,3)10-13-7-6(8(15)14-10)9(16)17-12(7,4)5/h1-5H3,(H,13,14,15)
InChIKeyKAPPKDJZVNSXKD-UHFFFAOYSA-N
XLogP1.47
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136160526
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461933
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461940
2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461942
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461945
2-cyclopropyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461950
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
tert-butyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294950

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461941) is 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is CC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC2(C)C.
What is the InChIKey of 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is KAPPKDJZVNSXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-11(2,3)10-13-7-6(8(15)14-10)9(16)17-12(7,4)5/h1-5H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
2-tert-butyl-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 236.27 g/mol, XLogP of 1.47, 0 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-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).