2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C26H28N4O2S2 — CID 52910038

IUPAC2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)[C@H]2CCCO2)cc1
InChIInChI=1S/C26H28N4O2S2/c1-2-6-18(7-3-1)24(20-8-4-12-32-20)29-25-23-19(21-9-5-15-33-21)17-34-26(23)28-22(27-25)16-30-10-13-31-14-11-30/h1-3,5-7,9,15,17,20,24H,4,8,10-14,16H2,(H,27,28,29)/t20-,24-/m1/s1
InChIKeyDTNMUJOEDGKBTG-HYBUGGRVSA-N
MW492.67 g/mol
LogP5.58
Rot. Bonds7

About 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 52910038) has the molecular formula C26H28N4O2S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID52910038
Molecular FormulaC26H28N4O2S2
Molecular Weight492.67 g/mol
Exact Mass492.17
IUPAC Name2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)[C@H]2CCCO2)cc1
InChIInChI=1S/C26H28N4O2S2/c1-2-6-18(7-3-1)24(20-8-4-12-32-20)29-25-23-19(21-9-5-15-33-21)17-34-26(23)28-22(27-25)16-30-10-13-31-14-11-30/h1-3,5-7,9,15,17,20,24H,4,8,10-14,16H2,(H,27,28,29)/t20-,24-/m1/s1
InChIKeyDTNMUJOEDGKBTG-HYBUGGRVSA-N
XLogP5.58
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(morpholin-4-ylmethyl)-N-(oxan-2-yloxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 47091036
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
2-(morpholin-4-ylmethyl)-5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 16553174
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 30225587
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 32705656
4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43036364
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9031121
N-methyl-4-[[methyl-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 17437411

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 52910038) is 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc([C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)[C@H]2CCCO2)cc1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DTNMUJOEDGKBTG-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H28N4O2S2/c1-2-6-18(7-3-1)24(20-8-4-12-32-20)29-25-23-19(21-9-5-15-33-21)17-34-26(23)28-22(27-25)16-30-10-13-31-14-11-30/h1-3,5-7,9,15,17,20,24H,4,8,10-14,16H2,(H,27,28,29)/t20-,24-/m1/s1.
What are the key properties of 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 492.67 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 52910038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).