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

C11H15N3S2 — CID 115637407

IUPACN-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCSCCCCNc1ncnc2sccc12
InChIInChI=1S/C11H15N3S2/c1-15-6-3-2-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyJHCSRSVGPXZTKX-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.25
Rot. Bonds6

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

N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 115637407) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID115637407
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCSCCCCNc1ncnc2sccc12
InChIInChI=1S/C11H15N3S2/c1-15-6-3-2-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyJHCSRSVGPXZTKX-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.25
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-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 115637407) is N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine is CSCCCCNc1ncnc2sccc12.
What is the InChIKey of N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JHCSRSVGPXZTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-15-6-3-2-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 253.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115637407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).