2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4OS — CID 103330597

IUPAC2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCOCC(C)C)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-15-14-17-12(11-5-8-20-13(11)18-14)16-6-7-19-9-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyCXSFZFIXNSCCIH-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.21
Rot. Bonds8

About 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330597) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330597
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCOCC(C)C)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-15-14-17-12(11-5-8-20-13(11)18-14)16-6-7-19-9-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyCXSFZFIXNSCCIH-UHFFFAOYSA-N
XLogP3.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
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-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330597) is 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCCOCC(C)C)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CXSFZFIXNSCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-15-14-17-12(11-5-8-20-13(11)18-14)16-6-7-19-9-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 294.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).