1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid

C10H11ClN2O2 — CID 171833060

IUPAC1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1nc(C)c(C2(C(=O)O)CC2)c(Cl)n1
InChIInChI=1S/C10H11ClN2O2/c1-5-7(8(11)13-6(2)12-5)10(3-4-10)9(14)15/h3-4H2,1-2H3,(H,14,15)
InChIKeyILCVUBOFWUTZPC-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid

1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 171833060) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
PubChem CID171833060
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1nc(C)c(C2(C(=O)O)CC2)c(Cl)n1
InChIInChI=1S/C10H11ClN2O2/c1-5-7(8(11)13-6(2)12-5)10(3-4-10)9(14)15/h3-4H2,1-2H3,(H,14,15)
InChIKeyILCVUBOFWUTZPC-UHFFFAOYSA-N
XLogP1.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid (CID 171833060) is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid is Cc1nc(C)c(C2(C(=O)O)CC2)c(Cl)n1.
What is the InChIKey of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ILCVUBOFWUTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-7(8(11)13-6(2)12-5)10(3-4-10)9(14)15/h3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 171833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).