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

C16H20N2O3 — CID 74672278

IUPACmethyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C)cc1
InChIInChI=1S/C16H20N2O3/c1-10-6-8-12(9-7-10)14-13(15(19)21-5)11(2)17(3)16(20)18(14)4/h6-9,14H,1-5H3
InChIKeyNQJAZQZCCCQDNH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds2

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

methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 74672278) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID74672278
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C)cc1
InChIInChI=1S/C16H20N2O3/c1-10-6-8-12(9-7-10)14-13(15(19)21-5)11(2)17(3)16(20)18(14)4/h6-9,14H,1-5H3
InChIKeyNQJAZQZCCCQDNH-UHFFFAOYSA-N
XLogP2.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
CID 220272
Benzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836941
Methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 650850
Methyl 1,6-dimethyl-4-(naphthalen-1-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864411
Methyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296188
Ethyl 3-acetyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2768148
Ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-(1-piperidinylmethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2971630
Cyclohexyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2854540
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296187
Ethyl 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate
CID 650029
Stk364061
CID 2847047
Cyclohexylmethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855431

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate (CID 74672278) is methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C)cc1.
What is the InChIKey of methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is NQJAZQZCCCQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-8-12(9-7-10)14-13(15(19)21-5)11(2)17(3)16(20)18(14)4/h6-9,14H,1-5H3.
What are the key properties of methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate?
methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,6-trimethyl-4-(4-methylphenyl)-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 74672278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).