N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine

C13H20N4S — CID 4781352

IUPACN',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2sccc12
InChIInChI=1S/C13H20N4S/c1-3-17(4-2)8-5-7-14-12-11-6-9-18-13(11)16-10-15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyKDFICYKMHHKRGC-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.84
Rot. Bonds7

About N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine

N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 4781352) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
PubChem CID4781352
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2sccc12
InChIInChI=1S/C13H20N4S/c1-3-17(4-2)8-5-7-14-12-11-6-9-18-13(11)16-10-15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyKDFICYKMHHKRGC-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (CID 4781352) is N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is CCN(CC)CCCNc1ncnc2sccc12.
What is the InChIKey of N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is KDFICYKMHHKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-17(4-2)8-5-7-14-12-11-6-9-18-13(11)16-10-15-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 4781352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).