N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C21H33N5O2S — CID 55521447

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCN3CC(C)OC(C)C3)c2c1C
InChIInChI=1S/C21H33N5O2S/c1-14-11-26(12-15(2)28-14)6-5-22-20-19-16(3)17(4)29-21(19)24-18(23-20)13-25-7-9-27-10-8-25/h14-15H,5-13H2,1-4H3,(H,22,23,24)
InChIKeyYGEUMTJINWKKTR-UHFFFAOYSA-N
MW419.60 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55521447) has the molecular formula C21H33N5O2S and a molecular weight of 419.60 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID55521447
Molecular FormulaC21H33N5O2S
Molecular Weight419.60 g/mol
Exact Mass419.24
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCN3CC(C)OC(C)C3)c2c1C
InChIInChI=1S/C21H33N5O2S/c1-14-11-26(12-15(2)28-14)6-5-22-20-19-16(3)17(4)29-21(19)24-18(23-20)13-25-7-9-27-10-8-25/h14-15H,5-13H2,1-4H3,(H,22,23,24)
InChIKeyYGEUMTJINWKKTR-UHFFFAOYSA-N
XLogP2.66
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
CID 37104729
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
N-(1,4-dithian-2-ylmethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133348870
5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18083464
(7R)-7-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9282510
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
5,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60502717
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 55521447) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NCCN3CC(C)OC(C)C3)c2c1C.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YGEUMTJINWKKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2S/c1-14-11-26(12-15(2)28-14)6-5-22-20-19-16(3)17(4)29-21(19)24-18(23-20)13-25-7-9-27-10-8-25/h14-15H,5-13H2,1-4H3,(H,22,23,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 419.60 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).