dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C20H18N4O5 — CID 168636123

IUPACdimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(-c3cn4cccnc4n3)cc2)COC1
InChIInChI=1S/C20H18N4O5/c1-27-18(25)15-11-29-12-24(17(15)19(26)28-2)14-6-4-13(5-7-14)16-10-23-9-3-8-21-20(23)22-16/h3-10H,11-12H2,1-2H3
InChIKeyMEHQOWYTMUEOTJ-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.79
Rot. Bonds4

About dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168636123) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168636123
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Namedimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(-c3cn4cccnc4n3)cc2)COC1
InChIInChI=1S/C20H18N4O5/c1-27-18(25)15-11-29-12-24(17(15)19(26)28-2)14-6-4-13(5-7-14)16-10-23-9-3-8-21-20(23)22-16/h3-10H,11-12H2,1-2H3
InChIKeyMEHQOWYTMUEOTJ-UHFFFAOYSA-N
XLogP1.79
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
dimethyl 3-(4-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600765
dimethyl 3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634179
dimethyl 3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634160
dimethyl 3-(4-phenylmethoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631565
dimethyl 3-[4-(3-methylpyrazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633099
dimethyl 3-[4-(1H-indol-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635297
4-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]benzenesulfonic acid
CID 168601317
dimethyl 3-[4-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631943
dimethyl 3-[4-(trifluoromethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600791
dimethyl 3-(4-ethylsulfonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632874
dimethyl 3-[4-(tetrazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634459

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168636123) is dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(-c3cn4cccnc4n3)cc2)COC1.
What is the InChIKey of dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is MEHQOWYTMUEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-27-18(25)15-11-29-12-24(17(15)19(26)28-2)14-6-4-13(5-7-14)16-10-23-9-3-8-21-20(23)22-16/h3-10H,11-12H2,1-2H3.
What are the key properties of dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 394.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168636123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).