methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate

C19H20N2O3 — CID 8822615

IUPACmethyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c1-12-16(18(22)24-4)17(21(3)19(23)20(12)2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,1-4H3/t17-/m1/s1
InChIKeyQLTUZMFCJUQNDC-QGZVFWFLSA-N
MW324.38 g/mol
LogP3.33
Rot. Bonds2

About methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate

methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 8822615) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID8822615
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c1-12-16(18(22)24-4)17(21(3)19(23)20(12)2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,1-4H3/t17-/m1/s1
InChIKeyQLTUZMFCJUQNDC-QGZVFWFLSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1,6-dimethyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864411
Ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-(1-piperidinylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2971630
methyl (1R,5S)-3-(3-fluoro-4-phenylphenyl)-8-(naphthalen-1-ylmethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 44143874
2-Methoxyethyl 6-methyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855241
methyl (6S)-3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6936297
Propyl 6-methyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855016
Methyl 6-methyl-4-(naphthalen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2907505
Methyl 6-[(benzylsulfanyl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2980792
2-Bromoethyl 6-methyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 5200634
methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461444
4-[5-Methoxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 5461569
4-(4-Methyl-6-naphthalen-2-yl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)butanoic acid
CID 5461591

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate (CID 8822615) is methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is QLTUZMFCJUQNDC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-16(18(22)24-4)17(21(3)19(23)20(12)2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,1-4H3/t17-/m1/s1.
What are the key properties of methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate?
methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1,3,6-trimethyl-4-naphthalen-2-yl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 8822615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).