N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine

C13H19N3S — CID 79003294

IUPACN-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)CCCCNc1ncnc2ccsc12
InChIInChI=1S/C13H19N3S/c1-10(2)5-3-4-7-14-13-12-11(6-8-17-12)15-9-16-13/h6,8-10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyDRAFAXAEDIKMEH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.93
Rot. Bonds6

About N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine

N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 79003294) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID79003294
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)CCCCNc1ncnc2ccsc12
InChIInChI=1S/C13H19N3S/c1-10(2)5-3-4-7-14-13-12-11(6-8-17-12)15-9-16-13/h6,8-10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyDRAFAXAEDIKMEH-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine (CID 79003294) is N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine is CC(C)CCCCNc1ncnc2ccsc12.
What is the InChIKey of N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DRAFAXAEDIKMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(2)5-3-4-7-14-13-12-11(6-8-17-12)15-9-16-13/h6,8-10H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine?
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 79003294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).