2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide

C13H19N5OS — CID 62183982

IUPAC2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
SMILESCCCNc1nc(CN(C)CC(N)=O)nc2sccc12
InChIInChI=1S/C13H19N5OS/c1-3-5-15-12-9-4-6-20-13(9)17-11(16-12)8-18(2)7-10(14)19/h4,6H,3,5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyGEEUGUFUFLOCHV-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.43
Rot. Bonds7

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

2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide (PubChem CID 62183982) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
PubChem CID62183982
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
SMILESCCCNc1nc(CN(C)CC(N)=O)nc2sccc12
InChIInChI=1S/C13H19N5OS/c1-3-5-15-12-9-4-6-20-13(9)17-11(16-12)8-18(2)7-10(14)19/h4,6H,3,5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyGEEUGUFUFLOCHV-UHFFFAOYSA-N
XLogP1.43
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide (CID 62183982) is 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide is CCCNc1nc(CN(C)CC(N)=O)nc2sccc12.
What is the InChIKey of 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The InChIKey is GEEUGUFUFLOCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-5-15-12-9-4-6-20-13(9)17-11(16-12)8-18(2)7-10(14)19/h4,6H,3,5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 62183982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).