6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione

C16H20N2O4S — CID 101180929

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(C)c(=O)[nH]c(=O)n2CSC)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-10-12(18(9-23-4)16(20)17-15(10)19)7-11-5-6-13(21-2)14(8-11)22-3/h5-6,8H,7,9H2,1-4H3,(H,17,19,20)
InChIKeyJYMZNUIFFDGEFZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.77
Rot. Bonds6

About 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione

6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione (PubChem CID 101180929) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione
PubChem CID101180929
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(C)c(=O)[nH]c(=O)n2CSC)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-10-12(18(9-23-4)16(20)17-15(10)19)7-11-5-6-13(21-2)14(8-11)22-3/h5-6,8H,7,9H2,1-4H3,(H,17,19,20)
InChIKeyJYMZNUIFFDGEFZ-UHFFFAOYSA-N
XLogP1.77
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135492439
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
CID 12637716
1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
6-(1-aminoethyl)-3-[(3,4-dimethoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135697923
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1401889
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1311695
5-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 129080216
2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28889894
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-butyl-4-hydroxy-5-[(3-hydroxy-4-methoxyphenyl)methyl]-1H-imidazol-2-one
CID 54315804
3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104033

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione (CID 101180929) is 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione is COc1ccc(Cc2c(C)c(=O)[nH]c(=O)n2CSC)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione?
The InChIKey is JYMZNUIFFDGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-12(18(9-23-4)16(20)17-15(10)19)7-11-5-6-13(21-2)14(8-11)22-3/h5-6,8H,7,9H2,1-4H3,(H,17,19,20).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione?
6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione has a molecular weight of 336.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(methylsulfanylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 101180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).