2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

C13H19N5OS — CID 103325838

IUPAC2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc2sccc12
InChIInChI=1S/C13H19N5OS/c1-4-18(5-2)10(19)8-17(3)11-9-6-7-20-12(9)16-13(14)15-11/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyVHDSXUKEUIPUGB-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.58
Rot. Bonds5

About 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 103325838) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
PubChem CID103325838
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc2sccc12
InChIInChI=1S/C13H19N5OS/c1-4-18(5-2)10(19)8-17(3)11-9-6-7-20-12(9)16-13(14)15-11/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyVHDSXUKEUIPUGB-UHFFFAOYSA-N
XLogP1.58
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 103325810
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327608
2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 103332682
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (CID 103325838) is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc(N)nc2sccc12.
What is the InChIKey of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is VHDSXUKEUIPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-18(5-2)10(19)8-17(3)11-9-6-7-20-12(9)16-13(14)15-11/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 293.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 103325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).