N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine

C20H25N3O2S — CID 9280227

IUPACN-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(Oc2ccc(OC)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H25N3O2S/c1-6-23(7-2)12-17-21-19(18-13(3)14(4)26-20(18)22-17)25-16-10-8-15(24-5)9-11-16/h8-11H,6-7,12H2,1-5H3
InChIKeyFBVLEZYIQISBLX-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.95
Rot. Bonds7

About N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine

N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine (PubChem CID 9280227) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
PubChem CID9280227
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(Oc2ccc(OC)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H25N3O2S/c1-6-23(7-2)12-17-21-19(18-13(3)14(4)26-20(18)22-17)25-16-10-8-15(24-5)9-11-16/h8-11H,6-7,12H2,1-5H3
InChIKeyFBVLEZYIQISBLX-UHFFFAOYSA-N
XLogP4.95
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5,6-dimethyl-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 17437125
N-[[5,6-dimethyl-4-(3-methyl-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9340490
5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251145
[4-[4-(cyanomethyl)phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9108685
[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9213486
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109097
2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 41023752
4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 9279549
methyl 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 9281009
N-[[5,6-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9311061
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379457
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine (CID 9280227) is N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine is CCN(CC)Cc1nc(Oc2ccc(OC)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
The InChIKey is FBVLEZYIQISBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-6-23(7-2)12-17-21-19(18-13(3)14(4)26-20(18)22-17)25-16-10-8-15(24-5)9-11-16/h8-11H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine?
N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine has a molecular weight of 371.51 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 9280227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).