1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid

C10H12N2O5 — CID 134095968

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid
SMILESCOc1cc(OC)nc(OC2(C(=O)O)CC2)n1
InChIInChI=1S/C10H12N2O5/c1-15-6-5-7(16-2)12-9(11-6)17-10(3-4-10)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyBZOYZNZTXHGNTN-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.49
Rot. Bonds5

About 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid

1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid (PubChem CID 134095968) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid
PubChem CID134095968
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid
SMILESCOc1cc(OC)nc(OC2(C(=O)O)CC2)n1
InChIInChI=1S/C10H12N2O5/c1-15-6-5-7(16-2)12-9(11-6)17-10(3-4-10)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyBZOYZNZTXHGNTN-UHFFFAOYSA-N
XLogP0.49
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid (CID 134095968) is 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid is COc1cc(OC)nc(OC2(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid?
The InChIKey is BZOYZNZTXHGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-15-6-5-7(16-2)12-9(11-6)17-10(3-4-10)8(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid?
1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)oxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 134095968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).