4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4O2S — CID 103326766

IUPAC4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCOCCOC)c2ccsc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-5-16-14-17-12(11-4-10-21-13(11)18-14)15-6-7-20-9-8-19-2/h4,10H,3,5-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyAIAKCSLKMQXMPH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.59
Rot. Bonds10

About 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326766) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326766
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCOCCOC)c2ccsc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-5-16-14-17-12(11-4-10-21-13(11)18-14)15-6-7-20-9-8-19-2/h4,10H,3,5-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyAIAKCSLKMQXMPH-UHFFFAOYSA-N
XLogP2.59
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326766) is 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NCCOCCOC)c2ccsc2n1.
What is the InChIKey of 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AIAKCSLKMQXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-5-16-14-17-12(11-4-10-21-13(11)18-14)15-6-7-20-9-8-19-2/h4,10H,3,5-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 310.42 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).