N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine

C11H16N4OS — CID 114243790

IUPACN-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(CCOCCN)c1ncnc2ccsc12
InChIInChI=1S/C11H16N4OS/c1-15(4-6-16-5-3-12)11-10-9(2-7-17-10)13-8-14-11/h2,7-8H,3-6,12H2,1H3
InChIKeyCHIJIKOLRXQMHY-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine

N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 114243790) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID114243790
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(CCOCCN)c1ncnc2ccsc12
InChIInChI=1S/C11H16N4OS/c1-15(4-6-16-5-3-12)11-10-9(2-7-17-10)13-8-14-11/h2,7-8H,3-6,12H2,1H3
InChIKeyCHIJIKOLRXQMHY-UHFFFAOYSA-N
XLogP1.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 114243790) is N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is CN(CCOCCN)c1ncnc2ccsc12.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CHIJIKOLRXQMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15(4-6-16-5-3-12)11-10-9(2-7-17-10)13-8-14-11/h2,7-8H,3-6,12H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114243790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).