6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine

C15H15N3S2 — CID 106849494

IUPAC6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3ccc(SC)cc3)nc2s1
InChIInChI=1S/C15H15N3S2/c1-3-10-8-12-13(16)17-14(18-15(12)20-10)9-4-6-11(19-2)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyAIWXECYHHASPFH-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.22
Rot. Bonds3

About 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106849494) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID106849494
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3ccc(SC)cc3)nc2s1
InChIInChI=1S/C15H15N3S2/c1-3-10-8-12-13(16)17-14(18-15(12)20-10)9-4-6-11(19-2)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyAIWXECYHHASPFH-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 106849598
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
2-(3,4-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63615139
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806564
6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 141266147
ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976514
2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 66146244
ethane;2-phenyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976488
2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 70702227
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 55250109
5-bromo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297936

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 106849494) is 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(-c3ccc(SC)cc3)nc2s1.
What is the InChIKey of 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AIWXECYHHASPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-3-10-8-12-13(16)17-14(18-15(12)20-10)9-4-6-11(19-2)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106849494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).