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

C13H17N3O2S — CID 28684262

IUPAC1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione
SMILESC[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1cccs1
InChIInChI=1S/C13H17N3O2S/c1-9(11-5-4-6-19-11)14-7-10-8-15(2)13(18)16(3)12(10)17/h4-6,8-9,14H,7H2,1-3H3/t9-/m1/s1
InChIKeyUMQYGLVQCNYBME-SECBINFHSA-N
MW279.36 g/mol
LogP1.00
Rot. Bonds4

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

1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 28684262) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione
PubChem CID28684262
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione
SMILESC[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1cccs1
InChIInChI=1S/C13H17N3O2S/c1-9(11-5-4-6-19-11)14-7-10-8-15(2)13(18)16(3)12(10)17/h4-6,8-9,14H,7H2,1-3H3/t9-/m1/s1
InChIKeyUMQYGLVQCNYBME-SECBINFHSA-N
XLogP1.00
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.00
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-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione (CID 28684262) is 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione is C[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1cccs1.
What is the InChIKey of 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is UMQYGLVQCNYBME-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(11-5-4-6-19-11)14-7-10-8-15(2)13(18)16(3)12(10)17/h4-6,8-9,14H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 279.36 g/mol, XLogP of 1.00, 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-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28684262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).