5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine

C14H14N6OS — CID 56833540

IUPAC5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ccsc3n2)cn1
InChIInChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)11-18-12(20-2-4-21-5-3-20)10-1-6-22-13(10)19-11/h1,6-8H,2-5H2,(H2,15,16,17)
InChIKeyLUFNUCYFEYGYNM-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.57
Rot. Bonds2

About 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine

5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 56833540) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
PubChem CID56833540
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ccsc3n2)cn1
InChIInChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)11-18-12(20-2-4-21-5-3-20)10-1-6-22-13(10)19-11/h1,6-8H,2-5H2,(H2,15,16,17)
InChIKeyLUFNUCYFEYGYNM-UHFFFAOYSA-N
XLogP1.57
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine (CID 56833540) is 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3ccsc3n2)cn1.
What is the InChIKey of 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is LUFNUCYFEYGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)11-18-12(20-2-4-21-5-3-20)10-1-6-22-13(10)19-11/h1,6-8H,2-5H2,(H2,15,16,17).
What are the key properties of 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine?
5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 314.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 56833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).