2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C14H13N3OS2 — CID 62190157

IUPAC2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(SCc2nc(N)c3ccsc3n2)cc1
InChIInChI=1S/C14H13N3OS2/c1-18-9-2-4-10(5-3-9)20-8-12-16-13(15)11-6-7-19-14(11)17-12/h2-7H,8H2,1H3,(H2,15,16,17)
InChIKeyABCKQLKBKPLXPR-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.57
Rot. Bonds4

About 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62190157) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62190157
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(SCc2nc(N)c3ccsc3n2)cc1
InChIInChI=1S/C14H13N3OS2/c1-18-9-2-4-10(5-3-9)20-8-12-16-13(15)11-6-7-19-14(11)17-12/h2-7H,8H2,1H3,(H2,15,16,17)
InChIKeyABCKQLKBKPLXPR-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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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
methyl 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 62188952
2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187847
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103205
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882605
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 42891317
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 62190157) is 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(SCc2nc(N)c3ccsc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ABCKQLKBKPLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-18-9-2-4-10(5-3-9)20-8-12-16-13(15)11-6-7-19-14(11)17-12/h2-7H,8H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(4-methoxyphenyl)sulfanylmethyl]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-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62190157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).