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

C9H10N2O4 — CID 141461945

IUPAC2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCOc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C9H10N2O4/c1-9(2)5-4(7(13)15-9)6(12)11-8(10-5)14-3/h1-3H3,(H,10,11,12)
InChIKeyDOARKMJQNCWVHX-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.18
Rot. Bonds1

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

2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (PubChem CID 141461945) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
PubChem CID141461945
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
SMILESCOc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C
InChIInChI=1S/C9H10N2O4/c1-9(2)5-4(7(13)15-9)6(12)11-8(10-5)14-3/h1-3H3,(H,10,11,12)
InChIKeyDOARKMJQNCWVHX-UHFFFAOYSA-N
XLogP0.18
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461941
2-Chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576423
methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136700220

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The IUPAC name of 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione (CID 141461945) is 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is COc1nc2c(c(=O)[nH]1)C(=O)OC2(C)C.
What is the InChIKey of 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
The InChIKey is DOARKMJQNCWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-9(2)5-4(7(13)15-9)6(12)11-8(10-5)14-3/h1-3H3,(H,10,11,12).
What are the key properties of 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione?
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione has a molecular weight of 210.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione is sourced from PubChem (CID 141461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).