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

C13H19N5OS — CID 103326824

IUPAC3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1nc(NCCC(=O)N(C)C)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-4-14-13-16-11(9-6-8-20-12(9)17-13)15-7-5-10(19)18(2)3/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyTUFGKHFJNDIDBC-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.01
Rot. Bonds6

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

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 103326824) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID103326824
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1nc(NCCC(=O)N(C)C)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-4-14-13-16-11(9-6-8-20-12(9)17-13)15-7-5-10(19)18(2)3/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyTUFGKHFJNDIDBC-UHFFFAOYSA-N
XLogP2.01
TPSA70.15 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
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
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
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
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 103326824) is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CCNc1nc(NCCC(=O)N(C)C)c2ccsc2n1.
What is the InChIKey of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is TUFGKHFJNDIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-14-13-16-11(9-6-8-20-12(9)17-13)15-7-5-10(19)18(2)3/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 293.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103326824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).