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

C8H8N2O2 — CID 91663958

IUPAC1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccn2)CC1
InChIInChI=1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12)
InChIKeyOMNPYYRVZCQDLE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.59
Rot. Bonds2

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

1-pyrimidin-2-ylcyclopropane-1-carboxylic acid (PubChem CID 91663958) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
PubChem CID91663958
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccn2)CC1
InChIInChI=1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12)
InChIKeyOMNPYYRVZCQDLE-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid (CID 91663958) is 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid is O=C(O)C1(c2ncccn2)CC1.
What is the InChIKey of 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is OMNPYYRVZCQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12).
What are the key properties of 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
1-pyrimidin-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 91663958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).