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

C12H16N4OS — CID 31539204

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)C)ncnc2s1
InChIInChI=1S/C12H16N4OS/c1-4-8-5-9-11(13-6-10(17)16(2)3)14-7-15-12(9)18-8/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyNPUQSQHMBITOQK-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.75
Rot. Bonds4

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

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 31539204) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID31539204
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCc1cc2c(NCC(=O)N(C)C)ncnc2s1
InChIInChI=1S/C12H16N4OS/c1-4-8-5-9-11(13-6-10(17)16(2)3)14-7-15-12(9)18-8/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyNPUQSQHMBITOQK-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
CID 39082289
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084959
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide (CID 31539204) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide is CCc1cc2c(NCC(=O)N(C)C)ncnc2s1.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is NPUQSQHMBITOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-8-5-9-11(13-6-10(17)16(2)3)14-7-15-12(9)18-8/h5,7H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 31539204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).