2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C15H15N3S2 — CID 62766247

IUPAC2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CSCc2nc(N)c3ccsc3n2)c1
InChIInChI=1S/C15H15N3S2/c1-10-3-2-4-11(7-10)8-19-9-13-17-14(16)12-5-6-20-15(12)18-13/h2-7H,8-9H2,1H3,(H2,16,17,18)
InChIKeyCWRWUCXPOULABD-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.02
Rot. Bonds4

About 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62766247) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62766247
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CSCc2nc(N)c3ccsc3n2)c1
InChIInChI=1S/C15H15N3S2/c1-10-3-2-4-11(7-10)8-19-9-13-17-14(16)12-5-6-20-15(12)18-13/h2-7H,8-9H2,1H3,(H2,16,17,18)
InChIKeyCWRWUCXPOULABD-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.02
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
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
methyl 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 62188952
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 62766078
2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62190157
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335268

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 62766247) is 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(CSCc2nc(N)c3ccsc3n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CWRWUCXPOULABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-10-3-2-4-11(7-10)8-19-9-13-17-14(16)12-5-6-20-15(12)18-13/h2-7H,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).