6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine

C12H17N3OS2 — CID 103334389

IUPAC6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SCCOC)nc(NC)nc2s1
InChIInChI=1S/C12H17N3OS2/c1-4-8-7-9-10(17-6-5-16-3)14-12(13-2)15-11(9)18-8/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyANRNANIEBPCXRQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.03
Rot. Bonds6

About 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine

6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334389) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334389
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(SCCOC)nc(NC)nc2s1
InChIInChI=1S/C12H17N3OS2/c1-4-8-7-9-10(17-6-5-16-3)14-12(13-2)15-11(9)18-8/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyANRNANIEBPCXRQ-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334260
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334120
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103334389) is 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(SCCOC)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ANRNANIEBPCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-4-8-7-9-10(17-6-5-16-3)14-12(13-2)15-11(9)18-8/h7H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).