N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine

C15H23N3O2S — CID 46993875

IUPACN,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(CCOCC)c1nc(C)nc2sccc12
InChIInChI=1S/C15H23N3O2S/c1-4-19-9-7-18(8-10-20-5-2)14-13-6-11-21-15(13)17-12(3)16-14/h6,11H,4-5,7-10H2,1-3H3
InChIKeyDVLIFSLQTQMEFE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.88
Rot. Bonds9

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

N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 46993875) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID46993875
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(CCOCC)c1nc(C)nc2sccc12
InChIInChI=1S/C15H23N3O2S/c1-4-19-9-7-18(8-10-20-5-2)14-13-6-11-21-15(13)17-12(3)16-14/h6,11H,4-5,7-10H2,1-3H3
InChIKeyDVLIFSLQTQMEFE-UHFFFAOYSA-N
XLogP2.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.88
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-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 46993875) is N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine is CCOCCN(CCOCC)c1nc(C)nc2sccc12.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DVLIFSLQTQMEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-19-9-7-18(8-10-20-5-2)14-13-6-11-21-15(13)17-12(3)16-14/h6,11H,4-5,7-10H2,1-3H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine?
N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46993875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).