2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide

C10H11ClN4OS — CID 103320684

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C10H11ClN4OS/c1-2-12-7(16)5-13-8-6-3-4-17-9(6)15-10(11)14-8/h3-4H,2,5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyDZEZKPYEHBBSSD-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide (PubChem CID 103320684) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
PubChem CID103320684
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C10H11ClN4OS/c1-2-12-7(16)5-13-8-6-3-4-17-9(6)15-10(11)14-8/h3-4H,2,5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyDZEZKPYEHBBSSD-UHFFFAOYSA-N
XLogP1.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide (CID 103320684) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide?
The InChIKey is DZEZKPYEHBBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-2-12-7(16)5-13-8-6-3-4-17-9(6)15-10(11)14-8/h3-4H,2,5H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide has a molecular weight of 270.75 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 103320684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).