2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H13N3OS2 — CID 63647191

IUPAC2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCSc1ccccc1OCc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H13N3OS2/c1-19-11-5-3-2-4-10(11)18-8-12-16-13(15)9-6-7-20-14(9)17-12/h2-7H,8H2,1H3,(H2,15,16,17)
InChIKeyMENLJLZDTLXLTO-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63647191) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63647191
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCSc1ccccc1OCc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H13N3OS2/c1-19-11-5-3-2-4-10(11)18-8-12-16-13(15)9-6-7-20-14(9)17-12/h2-7H,8H2,1H3,(H2,15,16,17)
InChIKeyMENLJLZDTLXLTO-UHFFFAOYSA-N
XLogP3.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63647191) is 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is CSc1ccccc1OCc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MENLJLZDTLXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-19-11-5-3-2-4-10(11)18-8-12-16-13(15)9-6-7-20-14(9)17-12/h2-7H,8H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).