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

C14H15N3O5 — CID 14425834

IUPACethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H15N3O5/c1-4-21-13(18)12-9(6-5-7-15-12)22-14-16-10(19-2)8-11(17-14)20-3/h5-8H,4H2,1-3H3
InChIKeySFUGKJRVEGEQSV-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.86
Rot. Bonds6

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

ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate (PubChem CID 14425834) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
PubChem CID14425834
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Nameethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H15N3O5/c1-4-21-13(18)12-9(6-5-7-15-12)22-14-16-10(19-2)8-11(17-14)20-3/h5-8H,4H2,1-3H3
InChIKeySFUGKJRVEGEQSV-UHFFFAOYSA-N
XLogP1.86
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloroethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425856
(nonan-5-ylideneamino) 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14648785
methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate
CID 3528773
ethyl 1-[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
CID 4132448
N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 4642395
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 20788857
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
CID 141043320
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The IUPAC name of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate (CID 14425834) is ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate is CCOC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
The InChIKey is SFUGKJRVEGEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-4-21-13(18)12-9(6-5-7-15-12)22-14-16-10(19-2)8-11(17-14)20-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate?
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate is sourced from PubChem (CID 14425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).