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

C12H15N3O2S — CID 28669312

IUPAC1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C12H15N3O2S/c1-14-8-9(11(16)15(2)12(14)17)6-13-7-10-4-3-5-18-10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyRGPLXJVCZLBYMG-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.44
Rot. Bonds4

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

1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 28669312) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione
PubChem CID28669312
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C12H15N3O2S/c1-14-8-9(11(16)15(2)12(14)17)6-13-7-10-4-3-5-18-10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyRGPLXJVCZLBYMG-UHFFFAOYSA-N
XLogP0.44
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione (CID 28669312) is 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is RGPLXJVCZLBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14-8-9(11(16)15(2)12(14)17)6-13-7-10-4-3-5-18-10/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 265.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28669312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).