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

C14H12N2O2 — CID 83898833

IUPAC2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid
SMILESO=C(O)C1CCc2cnc(-c3ccccc3)nc21
InChIInChI=1S/C14H12N2O2/c17-14(18)11-7-6-10-8-15-13(16-12(10)11)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,18)
InChIKeyBHXUYOFNMAZMOZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.26
Rot. Bonds2

About 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid

2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid (PubChem CID 83898833) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid
PubChem CID83898833
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid
SMILESO=C(O)C1CCc2cnc(-c3ccccc3)nc21
InChIInChI=1S/C14H12N2O2/c17-14(18)11-7-6-10-8-15-13(16-12(10)11)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,18)
InChIKeyBHXUYOFNMAZMOZ-UHFFFAOYSA-N
XLogP2.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid (CID 83898833) is 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid is O=C(O)C1CCc2cnc(-c3ccccc3)nc21.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid?
The InChIKey is BHXUYOFNMAZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)11-7-6-10-8-15-13(16-12(10)11)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,18).
What are the key properties of 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid?
2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 83898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).