2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide

C10H17N5OS — CID 80778671

IUPAC2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCSc1nc(N)cc(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C10H17N5OS/c1-14(2)9(16)6-15(3)8-5-7(11)12-10(13-8)17-4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyXSSUXNJNVKNZFG-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.31
Rot. Bonds4

About 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 80778671) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID80778671
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCSc1nc(N)cc(N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C10H17N5OS/c1-14(2)9(16)6-15(3)8-5-7(11)12-10(13-8)17-4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyXSSUXNJNVKNZFG-UHFFFAOYSA-N
XLogP0.31
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide (CID 80778671) is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide is CSc1nc(N)cc(N(C)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is XSSUXNJNVKNZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-14(2)9(16)6-15(3)8-5-7(11)12-10(13-8)17-4/h5H,6H2,1-4H3,(H2,11,12,13).
What are the key properties of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide?
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 255.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80778671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).