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

C10H17N3O2S — CID 60705490

IUPAC1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2S/c1-12-8(7-11-4-5-16-3)6-9(14)13(2)10(12)15/h6,11H,4-5,7H2,1-3H3
InChIKeyQCPFWWNCJIOOCE-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.46
Rot. Bonds5

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

1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 60705490) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione
PubChem CID60705490
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione
SMILESCSCCNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H17N3O2S/c1-12-8(7-11-4-5-16-3)6-9(14)13(2)10(12)15/h6,11H,4-5,7H2,1-3H3
InChIKeyQCPFWWNCJIOOCE-UHFFFAOYSA-N
XLogP-0.46
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.46
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

2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-(2-((2-methylpropyl)thio)ethyl)-
CID 3073855
2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-(2-((2-methylpropyl)sulfinyl)ethyl)-
CID 3075406
6-Methyl-1-(thietan-3-yl)pyrimidine-2,4(1h,3h)-dione
CID 72188456
6-Methyl-1-(1-oxothietan-3-yl)pyrimidine-2,4(1h,3h)-dione
CID 86765053
6-Methyl-3-(thietan-3-yl)pyrimidine-2,4(1h,3h)-dione
CID 134691315
1,3-Dimethyl-6-(thiomorpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 53505942
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
1,3-Bis(b-aminoethyl)-6-methyluracil
CID 12641807
1-Isobutylthioethyl-6-methyluracil
CID 21154924
1,3-Dimethyl-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrimidine-2,4-dione
CID 106429204
N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 162583384
2-Amino-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]acetamide
CID 33748612

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione (CID 60705490) is 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione is CSCCNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is QCPFWWNCJIOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12-8(7-11-4-5-16-3)6-9(14)13(2)10(12)15/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 243.33 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(2-methylsulfanylethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60705490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).