6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid

C8H8N2O2 — CID 82414974

IUPAC6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCC2
InChIInChI=1S/C8H8N2O2/c11-8(12)7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H,11,12)
InChIKeyHQNCQEXLHVHWRN-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.66
Rot. Bonds1

About 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid

6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 82414974) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID82414974
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCC2
InChIInChI=1S/C8H8N2O2/c11-8(12)7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H,11,12)
InChIKeyHQNCQEXLHVHWRN-UHFFFAOYSA-N
XLogP0.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (CID 82414974) is 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is O=C(O)c1ncnc2c1CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is HQNCQEXLHVHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H,11,12).
What are the key properties of 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82414974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).