N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C18H20N4OS — CID 138031320

IUPACN-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(CCNc2ncnc3ccsc23)c1
InChIInChI=1S/C18H20N4OS/c1-2-4-16(22-8-10-23-11-9-22)14(3-1)5-7-19-18-17-15(6-12-24-17)20-13-21-18/h1-4,6,12-13H,5,7-11H2,(H,19,20,21)
InChIKeyOXZDRCQNZOZKGZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.18
Rot. Bonds5

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

N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 138031320) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID138031320
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(N2CCOCC2)c(CCNc2ncnc3ccsc23)c1
InChIInChI=1S/C18H20N4OS/c1-2-4-16(22-8-10-23-11-9-22)14(3-1)5-7-19-18-17-15(6-12-24-17)20-13-21-18/h1-4,6,12-13H,5,7-11H2,(H,19,20,21)
InChIKeyOXZDRCQNZOZKGZ-UHFFFAOYSA-N
XLogP3.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 138031320) is N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is c1ccc(N2CCOCC2)c(CCNc2ncnc3ccsc23)c1.
What is the InChIKey of N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OXZDRCQNZOZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-4-16(22-8-10-23-11-9-22)14(3-1)5-7-19-18-17-15(6-12-24-17)20-13-21-18/h1-4,6,12-13H,5,7-11H2,(H,19,20,21).
What are the key properties of N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138031320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).