2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide

C19H22N4O2S — CID 2417936

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H22N4O2S/c1-5-23(10-16(24)22-14-7-6-8-15(9-14)25-4)18-17-12(2)13(3)26-19(17)21-11-20-18/h6-9,11H,5,10H2,1-4H3,(H,22,24)
InChIKeyUXKZDJYXZHUTJS-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.78
Rot. Bonds6

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 2417936) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID2417936
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H22N4O2S/c1-5-23(10-16(24)22-14-7-6-8-15(9-14)25-4)18-17-12(2)13(3)26-19(17)21-11-20-18/h6-9,11H,5,10H2,1-4H3,(H,22,24)
InChIKeyUXKZDJYXZHUTJS-UHFFFAOYSA-N
XLogP3.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 2417936) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2sc(C)c(C)c12.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is UXKZDJYXZHUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-5-23(10-16(24)22-14-7-6-8-15(9-14)25-4)18-17-12(2)13(3)26-19(17)21-11-20-18/h6-9,11H,5,10H2,1-4H3,(H,22,24).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).