2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide

C14H21N5OS — CID 103326538

IUPAC2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H21N5OS/c1-3-5-6-19(8-11(15)20)12-10-7-9(4-2)21-13(10)18-14(16)17-12/h7H,3-6,8H2,1-2H3,(H2,15,20)(H2,16,17,18)
InChIKeyMJXWRBLUYDMGPE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.93
Rot. Bonds7

About 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide (PubChem CID 103326538) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
PubChem CID103326538
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H21N5OS/c1-3-5-6-19(8-11(15)20)12-10-7-9(4-2)21-13(10)18-14(16)17-12/h7H,3-6,8H2,1-2H3,(H2,15,20)(H2,16,17,18)
InChIKeyMJXWRBLUYDMGPE-UHFFFAOYSA-N
XLogP1.93
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide?
The IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide (CID 103326538) is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide is CCCCN(CC(N)=O)c1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide?
The InChIKey is MJXWRBLUYDMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-5-6-19(8-11(15)20)12-10-7-9(4-2)21-13(10)18-14(16)17-12/h7H,3-6,8H2,1-2H3,(H2,15,20)(H2,16,17,18).
What are the key properties of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide?
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide is sourced from PubChem (CID 103326538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).