2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide

C18H21N5OS — CID 17466654

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C18H21N5OS/c1-5-20-17(24)11(3)21-16-14-10(2)12(4)25-18(14)23-15(22-16)13-7-6-8-19-9-13/h6-9,11H,5H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyUOGMFXSUODVZOM-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.31
Rot. Bonds5

About 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide (PubChem CID 17466654) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide
PubChem CID17466654
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C18H21N5OS/c1-5-20-17(24)11(3)21-16-14-10(2)12(4)25-18(14)23-15(22-16)13-7-6-8-19-9-13/h6-9,11H,5H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyUOGMFXSUODVZOM-UHFFFAOYSA-N
XLogP3.31
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide (CID 17466654) is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(-c2cccnc2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is UOGMFXSUODVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-5-20-17(24)11(3)21-16-14-10(2)12(4)25-18(14)23-15(22-16)13-7-6-8-19-9-13/h6-9,11H,5H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide?
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 355.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 17466654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).