2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide

C13H19N5OS — CID 62182664

IUPAC2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-8(2)5-18(6-10(14)19)7-11-16-12(15)9-3-4-20-13(9)17-11/h3-4,8H,5-7H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyLCHVAAXNIBSAJT-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.22
Rot. Bonds6

About 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide

2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 62182664) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID62182664
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-8(2)5-18(6-10(14)19)7-11-16-12(15)9-3-4-20-13(9)17-11/h3-4,8H,5-7H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyLCHVAAXNIBSAJT-UHFFFAOYSA-N
XLogP1.22
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide (CID 62182664) is 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is LCHVAAXNIBSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8(2)5-18(6-10(14)19)7-11-16-12(15)9-3-4-20-13(9)17-11/h3-4,8H,5-7H2,1-2H3,(H2,14,19)(H2,15,16,17).
What are the key properties of 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide?
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 62182664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).