5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C22H25FN4O2S — CID 42941769

IUPAC5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NCC(C4CCOC4)N4CCOCC4)c23)cc1
InChIInChI=1S/C22H25FN4O2S/c23-17-3-1-15(2-4-17)18-13-30-22-20(18)21(25-14-26-22)24-11-19(16-5-8-29-12-16)27-6-9-28-10-7-27/h1-4,13-14,16,19H,5-12H2,(H,24,25,26)
InChIKeyMKWVFBWPDXBBEY-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.65
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 42941769) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID42941769
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NCC(C4CCOC4)N4CCOCC4)c23)cc1
InChIInChI=1S/C22H25FN4O2S/c23-17-3-1-15(2-4-17)18-13-30-22-20(18)21(25-14-26-22)24-11-19(16-5-8-29-12-16)27-6-9-28-10-7-27/h1-4,13-14,16,19H,5-12H2,(H,24,25,26)
InChIKeyMKWVFBWPDXBBEY-UHFFFAOYSA-N
XLogP3.65
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 42941769) is 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2csc3ncnc(NCC(C4CCOC4)N4CCOCC4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MKWVFBWPDXBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c23-17-3-1-15(2-4-17)18-13-30-22-20(18)21(25-14-26-22)24-11-19(16-5-8-29-12-16)27-6-9-28-10-7-27/h1-4,13-14,16,19H,5-12H2,(H,24,25,26).
What are the key properties of 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 428.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 42941769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).