2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid

C8H8N2O4 — CID 136693540

IUPAC2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C8H8N2O4/c11-7(12)1-6-9-5-3-14-2-4(5)8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyWEMWOBGJJYGEPU-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.57
Rot. Bonds2

About 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid

2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid (PubChem CID 136693540) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid
PubChem CID136693540
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C8H8N2O4/c11-7(12)1-6-9-5-3-14-2-4(5)8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyWEMWOBGJJYGEPU-UHFFFAOYSA-N
XLogP-0.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dihydro-2-methylfuro[3,4-d]pyrimidin-4-ol
CID 135819035
ethyl 5-(hydroxymethyl)-6-oxo-2-(oxolan-3-yl)-1H-pyrimidine-4-carboxylate
CID 136500255
2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 137128195
Ethyl 1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinecarboxylate
CID 154942155
ethane;2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 172576466
4-methyl-6-oxo-2-(2-propoxyethyl)-1H-pyrimidine-5-carboxylic acid
CID 136024681
2-(methoxymethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136051948
2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136191393
2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136191395
propyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294945
ethyl 4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136294948
2-(3-aminopropyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136693536

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid (CID 136693540) is 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid is O=C(O)Cc1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid?
The InChIKey is WEMWOBGJJYGEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7(12)1-6-9-5-3-14-2-4(5)8(13)10-6/h1-3H2,(H,11,12)(H,9,10,13).
What are the key properties of 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid?
2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid has a molecular weight of 196.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 136693540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).