2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS2 — CID 1451575

IUPAC2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C16H17N3OS2/c1-9-10(2)22-15-13(9)14(17)18-16(19-15)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyUKQCZIKWSAEFSH-UHFFFAOYSA-N
MW331.47 g/mol
LogP4.19
Rot. Bonds4

About 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 1451575) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID1451575
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C16H17N3OS2/c1-9-10(2)22-15-13(9)14(17)18-16(19-15)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyUKQCZIKWSAEFSH-UHFFFAOYSA-N
XLogP4.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557153
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
5,6-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 56563656
5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 169049669
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 650599
2-(2-fluoro-4-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 81301971
2-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(benzylcarbamoyl)acetamide
CID 55572015
5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 87009391
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 1451575) is 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(CSc2nc(N)c3c(C)c(C)sc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UKQCZIKWSAEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-9-10(2)22-15-13(9)14(17)18-16(19-15)21-8-11-5-4-6-12(7-11)20-3/h4-7H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 1451575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).