2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid

C9H10N2O5 — CID 84690364

IUPAC2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(c(=O)[nH]c1=O)COCC2
InChIInChI=1S/C9H10N2O5/c12-7(13)3-11-6-1-2-16-4-5(6)8(14)10-9(11)15/h1-4H2,(H,12,13)(H,10,14,15)
InChIKeyMGNNZWVJTTUNCK-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.31
Rot. Bonds2

About 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid

2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid (PubChem CID 84690364) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid
PubChem CID84690364
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(c(=O)[nH]c1=O)COCC2
InChIInChI=1S/C9H10N2O5/c12-7(13)3-11-6-1-2-16-4-5(6)8(14)10-9(11)15/h1-4H2,(H,12,13)(H,10,14,15)
InChIKeyMGNNZWVJTTUNCK-UHFFFAOYSA-N
XLogP-1.31
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid (CID 84690364) is 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid is O=C(O)Cn1c2c(c(=O)[nH]c1=O)COCC2.
What is the InChIKey of 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid?
The InChIKey is MGNNZWVJTTUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-7(13)3-11-6-1-2-16-4-5(6)8(14)10-9(11)15/h1-4H2,(H,12,13)(H,10,14,15).
What are the key properties of 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid?
2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid has a molecular weight of 226.19 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-1-yl)acetic acid is sourced from PubChem (CID 84690364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).