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

C13H17ClN4O2S — CID 103322382

IUPAC2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCCOC)nc(Cl)nc2s1
InChIInChI=1S/C13H17ClN4O2S/c1-3-8-6-9-11(17-13(14)18-12(9)21-8)16-7-10(19)15-4-5-20-2/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyWGXKAAVPXKRKPW-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.08
Rot. Bonds7

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

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 103322382) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID103322382
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCCOC)nc(Cl)nc2s1
InChIInChI=1S/C13H17ClN4O2S/c1-3-8-6-9-11(17-13(14)18-12(9)21-8)16-7-10(19)15-4-5-20-2/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyWGXKAAVPXKRKPW-UHFFFAOYSA-N
XLogP2.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 39085002
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 18460510
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 103322382) is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide is CCc1cc2c(NCC(=O)NCCOC)nc(Cl)nc2s1.
What is the InChIKey of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is WGXKAAVPXKRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-3-8-6-9-11(17-13(14)18-12(9)21-8)16-7-10(19)15-4-5-20-2/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 328.83 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103322382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).