2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H24N4OS — CID 81062922

IUPAC2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(C)Cc1nc(NC)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H24N4OS/c1-6-20-8-7-19(5)9-12-17-14(16-4)13-10(2)11(3)21-15(13)18-12/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyBRIVEVVAKZQLOK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.82
Rot. Bonds7

About 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 81062922) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID81062922
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(C)Cc1nc(NC)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H24N4OS/c1-6-20-8-7-19(5)9-12-17-14(16-4)13-10(2)11(3)21-15(13)18-12/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyBRIVEVVAKZQLOK-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.82
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(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 81062922) is 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CCOCCN(C)Cc1nc(NC)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRIVEVVAKZQLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-6-20-8-7-19(5)9-12-17-14(16-4)13-10(2)11(3)21-15(13)18-12/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81062922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).