4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

C16H17N3S2 — CID 103334260

IUPAC4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SCc3ccccc3)nc(NC)nc2s1
InChIInChI=1S/C16H17N3S2/c1-3-12-9-13-14(18-16(17-2)19-15(13)21-12)20-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyLZVFQMJZNJNLRM-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.59
Rot. Bonds5

About 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334260) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334260
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC Name4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SCc3ccccc3)nc(NC)nc2s1
InChIInChI=1S/C16H17N3S2/c1-3-12-9-13-14(18-16(17-2)19-15(13)21-12)20-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyLZVFQMJZNJNLRM-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334389
6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334120
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
CID 103323026
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334872
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 103330455

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103334260) is 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(SCc3ccccc3)nc(NC)nc2s1.
What is the InChIKey of 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LZVFQMJZNJNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-3-12-9-13-14(18-16(17-2)19-15(13)21-12)20-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 315.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).