2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

C10H11N3S2 — CID 24649259

IUPAC2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(C)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C10H11N3S2/c1-6(2)5-15-10-12-8(11)7-3-4-14-9(7)13-10/h3-4H,1,5H2,2H3,(H2,11,12,13)
InChIKeyWTLONVKXKKZKJC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 24649259) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID24649259
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(C)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C10H11N3S2/c1-6(2)5-15-10-12-8(11)7-3-4-14-9(7)13-10/h3-4H,1,5H2,2H3,(H2,11,12,13)
InChIKeyWTLONVKXKKZKJC-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (CID 24649259) is 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is C=C(C)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WTLONVKXKKZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-6(2)5-15-10-12-8(11)7-3-4-14-9(7)13-10/h3-4H,1,5H2,2H3,(H2,11,12,13).
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24649259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).