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

C18H22N4OS2 — CID 31055335

IUPAC5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCc3cccs3)c2c1C
InChIInChI=1S/C18H22N4OS2/c1-12-13(2)25-18-16(12)17(19-10-14-4-3-9-24-14)20-15(21-18)11-22-5-7-23-8-6-22/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQIHVOLYJDVAQEH-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.81
Rot. Bonds5

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

5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 31055335) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID31055335
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCc3cccs3)c2c1C
InChIInChI=1S/C18H22N4OS2/c1-12-13(2)25-18-16(12)17(19-10-14-4-3-9-24-14)20-15(21-18)11-22-5-7-23-8-6-22/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyQIHVOLYJDVAQEH-UHFFFAOYSA-N
XLogP3.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 31055335) is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NCc3cccs3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QIHVOLYJDVAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-12-13(2)25-18-16(12)17(19-10-14-4-3-9-24-14)20-15(21-18)11-22-5-7-23-8-6-22/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 374.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31055335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).