1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione

C11H19N3O2S — CID 63965800

IUPAC1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2S/c1-13-9(8-12-5-4-6-17-3)7-10(15)14(2)11(13)16/h7,12H,4-6,8H2,1-3H3
InChIKeyYCQYVOBLCGCFDF-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.07
Rot. Bonds6

About 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione (PubChem CID 63965800) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione
PubChem CID63965800
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2S/c1-13-9(8-12-5-4-6-17-3)7-10(15)14(2)11(13)16/h7,12H,4-6,8H2,1-3H3
InChIKeyYCQYVOBLCGCFDF-UHFFFAOYSA-N
XLogP-0.07
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.07
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione (CID 63965800) is 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione is CSCCCNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is YCQYVOBLCGCFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-13-9(8-12-5-4-6-17-3)7-10(15)14(2)11(13)16/h7,12H,4-6,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 257.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3-methylsulfanylpropylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63965800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).