4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine

C15H15N3S2 — CID 103335268

IUPAC4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(C)cc(CSc2nc(N)nc3sccc23)c1
InChIInChI=1S/C15H15N3S2/c1-9-5-10(2)7-11(6-9)8-20-14-12-3-4-19-13(12)17-15(16)18-14/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyBEDWXQWYEZDHAJ-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.18
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine

4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335268) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103335268
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(C)cc(CSc2nc(N)nc3sccc23)c1
InChIInChI=1S/C15H15N3S2/c1-9-5-10(2)7-11(6-9)8-20-14-12-3-4-19-13(12)17-15(16)18-14/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyBEDWXQWYEZDHAJ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615
4-tert-butylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334167
4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334697
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
6-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-5-methylpyrimidin-4-amine
CID 80995681
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine (CID 103335268) is 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine is Cc1cc(C)cc(CSc2nc(N)nc3sccc23)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BEDWXQWYEZDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-9-5-10(2)7-11(6-9)8-20-14-12-3-4-19-13(12)17-15(16)18-14/h3-7H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).