2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H22N4OS — CID 63692488

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(CC)Cc1nc(NC)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-18(7-8-19-5-2)10-12-16-13(15-3)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17)
InChIKeyXTPHOHFDGPMQSP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds8

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

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63692488) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63692488
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(CC)Cc1nc(NC)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-18(7-8-19-5-2)10-12-16-13(15-3)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17)
InChIKeyXTPHOHFDGPMQSP-UHFFFAOYSA-N
XLogP2.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
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 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 63692488) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCOCCN(CC)Cc1nc(NC)c2ccsc2n1.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XTPHOHFDGPMQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-18(7-8-19-5-2)10-12-16-13(15-3)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 294.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63692488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).