methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate

C18H19N3O6 — CID 20788766

IUPACmethyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCN1C(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C18H19N3O6/c1-24-14-10-15(25-2)20-18(19-14)27-13-7-5-4-6-11(13)16(22)21-9-8-12(21)17(23)26-3/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyZABWNHLBYKRCNP-LBPRGKRZSA-N
MW373.37 g/mol
LogP1.67
Rot. Bonds6

About methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate

methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate (PubChem CID 20788766) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
PubChem CID20788766
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Namemethyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCN1C(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C18H19N3O6/c1-24-14-10-15(25-2)20-18(19-14)27-13-7-5-4-6-11(13)16(22)21-9-8-12(21)17(23)26-3/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyZABWNHLBYKRCNP-LBPRGKRZSA-N
XLogP1.67
TPSA100.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 20788830
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 44783626
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
CID 68685528

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate (CID 20788766) is methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate is COC(=O)[C@@H]1CCN1C(=O)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate?
The InChIKey is ZABWNHLBYKRCNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-24-14-10-15(25-2)20-18(19-14)27-13-7-5-4-6-11(13)16(22)21-9-8-12(21)17(23)26-3/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate?
methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate is sourced from PubChem (CID 20788766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).