3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione

C8H8N2O3 — CID 130008186

IUPAC3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(C)c(=O)[nH]c2o1
InChIInChI=1S/C8H8N2O3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyHUBHHRJYCKDKJC-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.13
Rot. Bonds

About 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione

3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione (PubChem CID 130008186) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione
PubChem CID130008186
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(C)c(=O)[nH]c2o1
InChIInChI=1S/C8H8N2O3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyHUBHHRJYCKDKJC-UHFFFAOYSA-N
XLogP0.13
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione (CID 130008186) is 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione is Cc1cc2c(=O)n(C)c(=O)[nH]c2o1.
What is the InChIKey of 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HUBHHRJYCKDKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12).
What are the key properties of 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione?
3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 180.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1H-furo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 130008186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).