methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C12H13BrN2O4 — CID 2277715

IUPACmethyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O4/c1-6-9(11(16)18-3)10(14-12(17)15(6)2)7-4-5-8(13)19-7/h4-5,10H,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyVWDCPJQWSRMBTA-JTQLQIEISA-N
MW329.15 g/mol
LogP2.19
Rot. Bonds2

About methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 2277715) has the molecular formula C12H13BrN2O4 and a molecular weight of 329.15 g/mol. Its IUPAC name is methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID2277715
Molecular FormulaC12H13BrN2O4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Namemethyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O4/c1-6-9(11(16)18-3)10(14-12(17)15(6)2)7-4-5-8(13)19-7/h4-5,10H,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyVWDCPJQWSRMBTA-JTQLQIEISA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 2277715) is methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Br)o1.
What is the InChIKey of methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is VWDCPJQWSRMBTA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13BrN2O4/c1-6-9(11(16)18-3)10(14-12(17)15(6)2)7-4-5-8(13)19-7/h4-5,10H,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 329.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(5-bromofuran-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 2277715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).