dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate

C19H19N5O5 — CID 1267183

IUPACdimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C19H19N5O5/c1-10-5-11(2)22-18(21-10)23-19-20-9-15(25)24(19)14-7-12(16(26)28-3)6-13(8-14)17(27)29-4/h5-8H,9H2,1-4H3,(H,20,21,22,23)
InChIKeyBEUGKZZSJSPXNY-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.48
Rot. Bonds4

About dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate

dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate (PubChem CID 1267183) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate
PubChem CID1267183
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Namedimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C19H19N5O5/c1-10-5-11(2)22-18(21-10)23-19-20-9-15(25)24(19)14-7-12(16(26)28-3)6-13(8-14)17(27)29-4/h5-8H,9H2,1-4H3,(H,20,21,22,23)
InChIKeyBEUGKZZSJSPXNY-UHFFFAOYSA-N
XLogP1.48
TPSA123.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 1119736
1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 742639
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
methyl 4-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112913902
5-[(4,6-dimethylpyrimidin-2-yl)amino]benzene-1,3-dicarboxylate
CID 9150492
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 4-[[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112910811
dimethyl 5-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate
CID 4859519
1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668609
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
dimethyl 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-dicarboxylate
CID 91068057

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate (CID 1267183) is dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate?
The InChIKey is BEUGKZZSJSPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-10-5-11(2)22-18(21-10)23-19-20-9-15(25)24(19)14-7-12(16(26)28-3)6-13(8-14)17(27)29-4/h5-8H,9H2,1-4H3,(H,20,21,22,23).
What are the key properties of dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate?
dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate has a molecular weight of 397.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1267183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).