methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate

C15H12ClFN2O3 — CID 58134367

IUPACmethyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cc(-c3ccc(F)cc3)nc(Cl)n2)CC1
InChIInChI=1S/C15H12ClFN2O3/c1-21-13(20)15(6-7-15)22-12-8-11(18-14(16)19-12)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyXZTJIEQLAXGPJR-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.02
Rot. Bonds4

About methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate

methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate (PubChem CID 58134367) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate
PubChem CID58134367
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Namemethyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cc(-c3ccc(F)cc3)nc(Cl)n2)CC1
InChIInChI=1S/C15H12ClFN2O3/c1-21-13(20)15(6-7-15)22-12-8-11(18-14(16)19-12)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyXZTJIEQLAXGPJR-UHFFFAOYSA-N
XLogP3.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate (CID 58134367) is methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate is COC(=O)C1(Oc2cc(-c3ccc(F)cc3)nc(Cl)n2)CC1.
What is the InChIKey of methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate?
The InChIKey is XZTJIEQLAXGPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-21-13(20)15(6-7-15)22-12-8-11(18-14(16)19-12)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate?
methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate has a molecular weight of 322.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate is sourced from PubChem (CID 58134367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).