N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H22N4O2S2 — CID 9196239

IUPACN-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C18H22N4O2S2/c1-23-7-4-19-17-16-13(14-3-2-10-25-14)12-26-18(16)21-15(20-17)11-22-5-8-24-9-6-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)
InChIKeyPYDOGEAHFABCSO-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.31
Rot. Bonds7

About N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9196239) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9196239
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C18H22N4O2S2/c1-23-7-4-19-17-16-13(14-3-2-10-25-14)12-26-18(16)21-15(20-17)11-22-5-8-24-9-6-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)
InChIKeyPYDOGEAHFABCSO-UHFFFAOYSA-N
XLogP3.31
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 9196239) is N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12.
What is the InChIKey of N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PYDOGEAHFABCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-23-7-4-19-17-16-13(14-3-2-10-25-14)12-26-18(16)21-15(20-17)11-22-5-8-24-9-6-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21).
What are the key properties of N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9196239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).