N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine

C18H28N4OS — CID 155529141

IUPACN,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(CCCCN2CCOCC2)nc2sccc12
InChIInChI=1S/C18H28N4OS/c1-3-22(4-2)17-15-8-14-24-18(15)20-16(19-17)7-5-6-9-21-10-12-23-13-11-21/h8,14H,3-7,9-13H2,1-2H3
InChIKeyHUZBOEOADAGCGJ-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.19
Rot. Bonds8

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

N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155529141) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155529141
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(CCCCN2CCOCC2)nc2sccc12
InChIInChI=1S/C18H28N4OS/c1-3-22(4-2)17-15-8-14-24-18(15)20-16(19-17)7-5-6-9-21-10-12-23-13-11-21/h8,14H,3-7,9-13H2,1-2H3
InChIKeyHUZBOEOADAGCGJ-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 155529141) is N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(CCCCN2CCOCC2)nc2sccc12.
What is the InChIKey of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HUZBOEOADAGCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-3-22(4-2)17-15-8-14-24-18(15)20-16(19-17)7-5-6-9-21-10-12-23-13-11-21/h8,14H,3-7,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?
N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.52 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155529141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).