5-methyl-3H-furo[2,3-d]pyrimidin-4-one

C7H6N2O2 — CID 53213978

IUPAC5-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1coc2nc[nH]c(=O)c12
InChIInChI=1S/C7H6N2O2/c1-4-2-11-7-5(4)6(10)8-3-9-7/h2-3H,1H3,(H,8,9,10)
InChIKeyLZZBYXTYRBPCJN-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.82
Rot. Bonds

About 5-methyl-3H-furo[2,3-d]pyrimidin-4-one

5-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 53213978) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID53213978
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name5-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1coc2nc[nH]c(=O)c12
InChIInChI=1S/C7H6N2O2/c1-4-2-11-7-5(4)6(10)8-3-9-7/h2-3H,1H3,(H,8,9,10)
InChIKeyLZZBYXTYRBPCJN-UHFFFAOYSA-N
XLogP0.82
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 53213978) is 5-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1coc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is LZZBYXTYRBPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-4-2-11-7-5(4)6(10)8-3-9-7/h2-3H,1H3,(H,8,9,10).
What are the key properties of 5-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 150.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53213978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).