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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Related Compounds

N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133347637
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724

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).