methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate

C19H24N2O3S — CID 7347655

IUPACmethyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate
SMILESCCc1nc(S[C@@H](C)C(=O)OC)n(C)c(=O)c1Cc1cccc(C)c1
InChIInChI=1S/C19H24N2O3S/c1-6-16-15(11-14-9-7-8-12(2)10-14)17(22)21(4)19(20-16)25-13(3)18(23)24-5/h7-10,13H,6,11H2,1-5H3/t13-/m0/s1
InChIKeyOYSJDWXTRIBDOG-ZDUSSCGKSA-N
MW360.48 g/mol
LogP2.90
Rot. Bonds6

About methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate

methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate (PubChem CID 7347655) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate
PubChem CID7347655
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Namemethyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate
SMILESCCc1nc(S[C@@H](C)C(=O)OC)n(C)c(=O)c1Cc1cccc(C)c1
InChIInChI=1S/C19H24N2O3S/c1-6-16-15(11-14-9-7-8-12(2)10-14)17(22)21(4)19(20-16)25-13(3)18(23)24-5/h7-10,13H,6,11H2,1-5H3/t13-/m0/s1
InChIKeyOYSJDWXTRIBDOG-ZDUSSCGKSA-N
XLogP2.90
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpropanoate
CID 7231480
4-[[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile
CID 3626605
methyl 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpropanoate
CID 42796681
4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-propylbutanamide
CID 42739606
methyl 2-[(3-methylphenyl)methylsulfanyl]propanoate
CID 60722456
5-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-propylpentanamide
CID 42739580
1-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 83287112
methyl 2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetate
CID 7413329
methyl (2R)-2-[[11-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]propanoate
CID 1418227
5-[(4-fluorophenyl)methyl]-3,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-one
CID 7265339
5-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)pentanamide
CID 42739594
2-[(2,5-difluorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one
CID 7482402

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate?
The IUPAC name of methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate (CID 7347655) is methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate is CCc1nc(S[C@@H](C)C(=O)OC)n(C)c(=O)c1Cc1cccc(C)c1.
What is the InChIKey of methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate?
The InChIKey is OYSJDWXTRIBDOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-6-16-15(11-14-9-7-8-12(2)10-14)17(22)21(4)19(20-16)25-13(3)18(23)24-5/h7-10,13H,6,11H2,1-5H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate?
methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate has a molecular weight of 360.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpropanoate is sourced from PubChem (CID 7347655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).