methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate

C15H17N3O5 — CID 139847744

IUPACmethyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1OCc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H17N3O5/c1-9-5-6-16-14(13(9)15(19)22-4)23-8-10-17-11(20-2)7-12(18-10)21-3/h5-7H,8H2,1-4H3
InChIKeyHTHOJAYPUBNPGS-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.56
Rot. Bonds6

About methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate (PubChem CID 139847744) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate
PubChem CID139847744
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1OCc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H17N3O5/c1-9-5-6-16-14(13(9)15(19)22-4)23-8-10-17-11(20-2)7-12(18-10)21-3/h5-7H,8H2,1-4H3
InChIKeyHTHOJAYPUBNPGS-UHFFFAOYSA-N
XLogP1.56
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate (CID 139847744) is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate is COC(=O)c1c(C)ccnc1OCc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate?
The InChIKey is HTHOJAYPUBNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-5-6-16-14(13(9)15(19)22-4)23-8-10-17-11(20-2)7-12(18-10)21-3/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate?
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 139847744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).