1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

C20H22N2O3S — CID 11773106

IUPAC1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Sc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-4-25-12-22-19(17(13(2)3)18(23)21-20(22)24)26-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyFDYKXQIXZJSPEB-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.96
Rot. Bonds6

About 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 11773106) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID11773106
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Sc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-4-25-12-22-19(17(13(2)3)18(23)21-20(22)24)26-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyFDYKXQIXZJSPEB-UHFFFAOYSA-N
XLogP3.96
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylphenyl)sulfanyl-1-(hydroxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 101098996
1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776874
1-(ethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 66573084
6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 11244192
6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 25213476
2-[[6-(3,5-dimethylphenyl)sulfanyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]benzonitrile
CID 15957722
6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 24776986
5-methyl-1-(2-pentan-2-yloxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 57348140
1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656474
1-[[5-(hydroxymethyl)cyclopenten-1-yl]methyl]-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
CID 139827468
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 509571
1-[(2-dimethylsilyloxy-3,3-dimethylbutoxy)methyl]-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
CID 173322574

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione (CID 11773106) is 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione is CCOCn1c(Sc2ccc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is FDYKXQIXZJSPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-25-12-22-19(17(13(2)3)18(23)21-20(22)24)26-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,4,12H2,1-3H3,(H,21,23,24).
What are the key properties of 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 370.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 11773106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).