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

C16H24N4OS — CID 39081718

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ncnc2sc(CC)cc12
InChIInChI=1S/C16H24N4OS/c1-4-7-20(8-5-2)14(21)10-17-15-13-9-12(6-3)22-16(13)19-11-18-15/h9,11H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyRWOIUDWBTSJTJD-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.31
Rot. Bonds8

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

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide (PubChem CID 39081718) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
PubChem CID39081718
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ncnc2sc(CC)cc12
InChIInChI=1S/C16H24N4OS/c1-4-7-20(8-5-2)14(21)10-17-15-13-9-12(6-3)22-16(13)19-11-18-15/h9,11H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyRWOIUDWBTSJTJD-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.31
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-dimethylacetamide
CID 31539204
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
CID 39082289
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
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide (CID 39081718) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1ncnc2sc(CC)cc12.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide?
The InChIKey is RWOIUDWBTSJTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-4-7-20(8-5-2)14(21)10-17-15-13-9-12(6-3)22-16(13)19-11-18-15/h9,11H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide has a molecular weight of 320.46 g/mol, XLogP of 3.31, 8 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-dipropylacetamide is sourced from PubChem (CID 39081718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).