5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C19H22N4OS — CID 1147018

IUPAC5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C19H22N4OS/c1-14-2-4-15(5-3-14)16-12-25-19-17(16)18(21-13-22-19)20-6-7-23-8-10-24-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyDLWFEKNOTMFPDS-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.41
Rot. Bonds5

About 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 1147018) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID1147018
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
InChIInChI=1S/C19H22N4OS/c1-14-2-4-15(5-3-14)16-12-25-19-17(16)18(21-13-22-19)20-6-7-23-8-10-24-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyDLWFEKNOTMFPDS-UHFFFAOYSA-N
XLogP3.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 1147018) is 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DLWFEKNOTMFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-2-4-15(5-3-14)16-12-25-19-17(16)18(21-13-22-19)20-6-7-23-8-10-24-11-9-23/h2-5,12-13H,6-11H2,1H3,(H,20,21,22).
What are the key properties of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 1147018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).