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

C16H19BrN2O4 — CID 1020357

IUPACmethyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOc1ccc(Br)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1
InChIInChI=1S/C16H19BrN2O4/c1-5-23-10-6-7-12(17)11(8-10)14-13(15(20)22-4)9(2)19(3)16(21)18-14/h6-8,14H,5H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyUQWUAIWZGSUAIQ-AWEZNQCLSA-N
MW383.24 g/mol
LogP2.99
Rot. Bonds4

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

methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 1020357) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID1020357
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Namemethyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOc1ccc(Br)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1
InChIInChI=1S/C16H19BrN2O4/c1-5-23-10-6-7-12(17)11(8-10)14-13(15(20)22-4)9(2)19(3)16(21)18-14/h6-8,14H,5H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyUQWUAIWZGSUAIQ-AWEZNQCLSA-N
XLogP2.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Cyclohexylmethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855594
4-Methoxybenzyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855690
4-(6-Bromo-benzo[1,3]dioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
CID 648797
Prop-2-en-1-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864879
2-Methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864940
Ethyl 4-(2-ethoxyphenyl)-1-methyl-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2906356
Methyl 4-(5-bromo-2-methoxyphenyl)-1-ethyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2966047
methyl 4-(4-bromophenyl)-2-oxo-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461422
4-[5-Methoxycarbonyl-6-(3-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 5461571
Allyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3089397
Allyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 607133
[2-(5-Acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-4-bromophenoxy]acetonitrile
CID 4606790

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 1020357) is methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOc1ccc(Br)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1.
What is the InChIKey of methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is UQWUAIWZGSUAIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19BrN2O4/c1-5-23-10-6-7-12(17)11(8-10)14-13(15(20)22-4)9(2)19(3)16(21)18-14/h6-8,14H,5H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 383.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(2-bromo-5-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 1020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).