2-pyrimidin-2-ylcyclopropane-1-carboxylic acid

C8H8N2O2 — CID 116998346

IUPAC2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-4-5(6)7-9-2-1-3-10-7/h1-3,5-6H,4H2,(H,11,12)
InChIKeyPNAMJFABYOGTIO-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.66
Rot. Bonds2

About 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid

2-pyrimidin-2-ylcyclopropane-1-carboxylic acid (PubChem CID 116998346) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
PubChem CID116998346
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-4-5(6)7-9-2-1-3-10-7/h1-3,5-6H,4H2,(H,11,12)
InChIKeyPNAMJFABYOGTIO-UHFFFAOYSA-N
XLogP0.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid (CID 116998346) is 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is PNAMJFABYOGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)6-4-5(6)7-9-2-1-3-10-7/h1-3,5-6H,4H2,(H,11,12).
What are the key properties of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
2-pyrimidin-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 116998346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).