methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate

C16H19N5O4 — CID 163274123

IUPACmethyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2cnc(OC)nc2OC)cc1N1CCCC1
InChIInChI=1S/C16H19N5O4/c1-23-14-10(9-17-16(18-14)25-3)11-8-12(21-6-4-5-7-21)13(20-19-11)15(22)24-2/h8-9H,4-7H2,1-3H3
InChIKeyVFQDZNTWPXTISO-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.34
Rot. Bonds5

About methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate

methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate (PubChem CID 163274123) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
PubChem CID163274123
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Namemethyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2cnc(OC)nc2OC)cc1N1CCCC1
InChIInChI=1S/C16H19N5O4/c1-23-14-10(9-17-16(18-14)25-3)11-8-12(21-6-4-5-7-21)13(20-19-11)15(22)24-2/h8-9H,4-7H2,1-3H3
InChIKeyVFQDZNTWPXTISO-UHFFFAOYSA-N
XLogP1.34
TPSA99.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate (CID 163274123) is methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate is COC(=O)c1nnc(-c2cnc(OC)nc2OC)cc1N1CCCC1.
What is the InChIKey of methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate?
The InChIKey is VFQDZNTWPXTISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-23-14-10(9-17-16(18-14)25-3)11-8-12(21-6-4-5-7-21)13(20-19-11)15(22)24-2/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate?
methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate is sourced from PubChem (CID 163274123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).