5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C7H8N2O2 — CID 135741900

IUPAC5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC1OCc2nc[nH]c(=O)c21
InChIInChI=1S/C7H8N2O2/c1-4-6-5(2-11-4)8-3-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyROCQBFKLPAVBHC-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.36
Rot. Bonds

About 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 135741900) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID135741900
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCC1OCc2nc[nH]c(=O)c21
InChIInChI=1S/C7H8N2O2/c1-4-6-5(2-11-4)8-3-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyROCQBFKLPAVBHC-UHFFFAOYSA-N
XLogP0.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 135741900) is 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is CC1OCc2nc[nH]c(=O)c21.
What is the InChIKey of 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is ROCQBFKLPAVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-6-5(2-11-4)8-3-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135741900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).