1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione

C13H23N3O2S — CID 104923026

IUPAC1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCCCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O2S/c1-15-10-11(12(17)16(2)13(15)18)9-14-7-5-4-6-8-19-3/h10,14H,4-9H2,1-3H3
InChIKeyOLZKBDJHKIBGLU-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.71
Rot. Bonds8

About 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione (PubChem CID 104923026) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
PubChem CID104923026
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCCCCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N3O2S/c1-15-10-11(12(17)16(2)13(15)18)9-14-7-5-4-6-8-19-3/h10,14H,4-9H2,1-3H3
InChIKeyOLZKBDJHKIBGLU-UHFFFAOYSA-N
XLogP0.71
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
CID 28710634
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126605
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
N-[(2,5-dimethylphenyl)methyl]-6-methylsulfanylhexan-1-amine
CID 114124881

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione (CID 104923026) is 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione is CSCCCCCNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is OLZKBDJHKIBGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-15-10-11(12(17)16(2)13(15)18)9-14-7-5-4-6-8-19-3/h10,14H,4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 285.41 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 104923026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).