N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C12H17N5OS — CID 103325026

IUPACN-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)c2ccsc2n1
InChIInChI=1S/C12H17N5OS/c1-3-13-12-16-10(15-6-5-14-8(2)18)9-4-7-19-11(9)17-12/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyRJNIJZOUELOQPG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds6

About N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 103325026) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID103325026
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)c2ccsc2n1
InChIInChI=1S/C12H17N5OS/c1-3-13-12-16-10(15-6-5-14-8(2)18)9-4-7-19-11(9)17-12/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyRJNIJZOUELOQPG-UHFFFAOYSA-N
XLogP1.67
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 103325026) is N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CCNc1nc(NCCNC(C)=O)c2ccsc2n1.
What is the InChIKey of N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is RJNIJZOUELOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-13-12-16-10(15-6-5-14-8(2)18)9-4-7-19-11(9)17-12/h4,7H,3,5-6H2,1-2H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 103325026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).