furo[3,2-d]pyrimidine-2-carboxylic acid

C7H4N2O3 — CID 82415017

IUPACfuro[3,2-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc2occc2n1
InChIInChI=1S/C7H4N2O3/c10-7(11)6-8-3-5-4(9-6)1-2-12-5/h1-3H,(H,10,11)
InChIKeyBGBPYDKSLDQYAU-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.92
Rot. Bonds1

About furo[3,2-d]pyrimidine-2-carboxylic acid

furo[3,2-d]pyrimidine-2-carboxylic acid (PubChem CID 82415017) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is furo[3,2-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Namefuro[3,2-d]pyrimidine-2-carboxylic acid
PubChem CID82415017
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Namefuro[3,2-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc2occc2n1
InChIInChI=1S/C7H4N2O3/c10-7(11)6-8-3-5-4(9-6)1-2-12-5/h1-3H,(H,10,11)
InChIKeyBGBPYDKSLDQYAU-UHFFFAOYSA-N
XLogP0.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylquinazoline-2-carboxylic acid
CID 150199538
6-cyanoquinazoline-2-carboxylic acid
CID 144887099
quinazoline-2,5,7-tricarboxylic acid
CID 139964579
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
quinazoline-2,8-dicarboxylic acid
CID 54041183
5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 83914864
furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 159372864
2-furo[2,3-c]pyridin-5-yl-2-oxoacetamide
CID 171482687
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
N-selenophen-3-ylfuro[3,2-d]pyrimidin-2-amine
CID 141330271
5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
7H-purine-2-carboxylic acid;hydrochloride
CID 162322232

Frequently Asked Questions

What is the IUPAC name of furo[3,2-d]pyrimidine-2-carboxylic acid?
The IUPAC name of furo[3,2-d]pyrimidine-2-carboxylic acid (CID 82415017) is furo[3,2-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for furo[3,2-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for furo[3,2-d]pyrimidine-2-carboxylic acid is O=C(O)c1ncc2occc2n1.
What is the InChIKey of furo[3,2-d]pyrimidine-2-carboxylic acid?
The InChIKey is BGBPYDKSLDQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-7(11)6-8-3-5-4(9-6)1-2-12-5/h1-3H,(H,10,11).
What are the key properties of furo[3,2-d]pyrimidine-2-carboxylic acid?
furo[3,2-d]pyrimidine-2-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82415017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).