methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

C14H16N2O3 — CID 650850

IUPACmethyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-9-11(13(17)19-3)12(15-14(18)16(9)2)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,15,18)
InChIKeyDTFSIMUYNDCTMM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.83
Rot. Bonds2

About methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 650850) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID650850
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-9-11(13(17)19-3)12(15-14(18)16(9)2)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,15,18)
InChIKeyDTFSIMUYNDCTMM-UHFFFAOYSA-N
XLogP1.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate (CID 650850) is methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1.
What is the InChIKey of methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is DTFSIMUYNDCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-11(13(17)19-3)12(15-14(18)16(9)2)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,15,18).
What are the key properties of methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 650850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).