2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide

C24H31N5O3S — CID 55346821

IUPAC2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C24H31N5O3S/c1-5-29(15-21(30)25-18-8-6-7-9-19(18)31-4)23-22-16(2)17(3)33-24(22)27-20(26-23)14-28-10-12-32-13-11-28/h6-9H,5,10-15H2,1-4H3,(H,25,30)
InChIKeyVOEUKUXYYGLLLU-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.61
Rot. Bonds8

About 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide

2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 55346821) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID55346821
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C24H31N5O3S/c1-5-29(15-21(30)25-18-8-6-7-9-19(18)31-4)23-22-16(2)17(3)33-24(22)27-20(26-23)14-28-10-12-32-13-11-28/h6-9H,5,10-15H2,1-4H3,(H,25,30)
InChIKeyVOEUKUXYYGLLLU-UHFFFAOYSA-N
XLogP3.61
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55829601
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 18083452
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 18197486
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 9112710
N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9113875
2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3863605
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1440726
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 51245916

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide (CID 55346821) is 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VOEUKUXYYGLLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-5-29(15-21(30)25-18-8-6-7-9-19(18)31-4)23-22-16(2)17(3)33-24(22)27-20(26-23)14-28-10-12-32-13-11-28/h6-9H,5,10-15H2,1-4H3,(H,25,30).
What are the key properties of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide?
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55346821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).