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

C15H17ClN2O3 — CID 45103763

IUPACmethyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-9-12(14(19)21-4)13(18(3)15(20)17(9)2)10-7-5-6-8-11(10)16/h5-8,13H,1-4H3
InChIKeyAQCUOSKSRHOSBP-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.83
Rot. Bonds2

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

methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 45103763) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID45103763
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Namemethyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-9-12(14(19)21-4)13(18(3)15(20)17(9)2)10-7-5-6-8-11(10)16/h5-8,13H,1-4H3
InChIKeyAQCUOSKSRHOSBP-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.83
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
Ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2817097
Methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 650850
4-(2-CL-PH)-6-ME-2-Oxo-1,2,3,4-4H-pyrimidine-5-carboxylic acid ethyl ester
CID 493410
Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 602918
Methyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296188
Methyl 4-(4-chlorophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2879448
Ethyl 4-(4-chlorophenyl)-6-[(4-methyl-1-piperidinyl)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2972834
cyclohexylmethyl 4-(4-chlorophenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 57400006
Methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2831298
Ethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855638
2-Methoxyethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3236346

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (CID 45103763) is methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1Cl.
What is the InChIKey of methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is AQCUOSKSRHOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9-12(14(19)21-4)13(18(3)15(20)17(9)2)10-7-5-6-8-11(10)16/h5-8,13H,1-4H3.
What are the key properties of methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 308.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 45103763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).