1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid

C9H9ClN2O2 — CID 171833157

IUPAC1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncnc(Cl)c1C1(C(=O)O)CC1
InChIInChI=1S/C9H9ClN2O2/c1-5-6(7(10)12-4-11-5)9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyRKGLIRDGXZVBKO-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.55
Rot. Bonds2

About 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid

1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 171833157) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
PubChem CID171833157
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncnc(Cl)c1C1(C(=O)O)CC1
InChIInChI=1S/C9H9ClN2O2/c1-5-6(7(10)12-4-11-5)9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyRKGLIRDGXZVBKO-UHFFFAOYSA-N
XLogP1.55
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid (CID 171833157) is 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid is Cc1ncnc(Cl)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RKGLIRDGXZVBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5-6(7(10)12-4-11-5)9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid?
1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 212.64 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 171833157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).