4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine

C20H18N6O2S — CID 164628571

IUPAC4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(Nc2ccc(Oc3ncnc4sccc34)cc2)n1
InChIInChI=1S/C20H18N6O2S/c1-3-15(28-18-16-6-12-29-19(16)23-13-22-18)4-2-14(1)24-20-21-7-5-17(25-20)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,21,24,25)
InChIKeyJCGWTKRGBYEUDX-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.85
Rot. Bonds5

About 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine

4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine (PubChem CID 164628571) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
PubChem CID164628571
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(Nc2ccc(Oc3ncnc4sccc34)cc2)n1
InChIInChI=1S/C20H18N6O2S/c1-3-15(28-18-16-6-12-29-19(16)23-13-22-18)4-2-14(1)24-20-21-7-5-17(25-20)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,21,24,25)
InChIKeyJCGWTKRGBYEUDX-UHFFFAOYSA-N
XLogP3.85
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine (CID 164628571) is 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine is c1cc(N2CCOCC2)nc(Nc2ccc(Oc3ncnc4sccc34)cc2)n1.
What is the InChIKey of 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is JCGWTKRGBYEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-3-15(28-18-16-6-12-29-19(16)23-13-22-18)4-2-14(1)24-20-21-7-5-17(25-20)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,21,24,25).
What are the key properties of 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine?
4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 406.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 164628571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).