benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate

C19H17N3O5 — CID 14425830

IUPACbenzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
SMILESCOc1cc(OC)nc(Oc2cccnc2C(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H17N3O5/c1-24-15-11-16(25-2)22-19(21-15)27-14-9-6-10-20-17(14)18(23)26-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyMSCZSYCMTIOUHJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.04
Rot. Bonds7

About benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate

benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate (PubChem CID 14425830) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
PubChem CID14425830
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Namebenzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
SMILESCOc1cc(OC)nc(Oc2cccnc2C(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H17N3O5/c1-24-15-11-16(25-2)22-19(21-15)27-14-9-6-10-20-17(14)18(23)26-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyMSCZSYCMTIOUHJ-UHFFFAOYSA-N
XLogP3.04
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-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 benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The IUPAC name of benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate (CID 14425830) is benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate.
What is the SMILES notation for benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The canonical SMILES for benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate is COc1cc(OC)nc(Oc2cccnc2C(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The InChIKey is MSCZSYCMTIOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-24-15-11-16(25-2)22-19(21-15)27-14-9-6-10-20-17(14)18(23)26-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3.
What are the key properties of benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate is sourced from PubChem (CID 14425830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).