2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine

C10H11N3S2 — CID 3825851

IUPAC2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1nc(SC)nc2ccsc12
InChIInChI=1S/C10H11N3S2/c1-3-5-11-9-8-7(4-6-15-8)12-10(13-9)14-2/h3-4,6H,1,5H2,2H3,(H,11,12,13)
InChIKeySSGOTSODPASPPU-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.01
Rot. Bonds4

About 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine

2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 3825851) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine
PubChem CID3825851
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1nc(SC)nc2ccsc12
InChIInChI=1S/C10H11N3S2/c1-3-5-11-9-8-7(4-6-15-8)12-10(13-9)14-2/h3-4,6H,1,5H2,2H3,(H,11,12,13)
InChIKeySSGOTSODPASPPU-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.01
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-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine (CID 3825851) is 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine is C=CCNc1nc(SC)nc2ccsc12.
What is the InChIKey of 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SSGOTSODPASPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-3-5-11-9-8-7(4-6-15-8)12-10(13-9)14-2/h3-4,6H,1,5H2,2H3,(H,11,12,13).
What are the key properties of 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine?
2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-prop-2-enylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 3825851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).