N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N3S3 — CID 55045080

IUPACN-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cccs2)nc2sccc12
InChIInChI=1S/C13H13N3S3/c1-2-14-12-9-5-7-18-13(9)16-10(15-12)8-19-11-4-3-6-17-11/h3-7H,2,8H2,1H3,(H,14,15,16)
InChIKeyGKWPTKJFSHTMSQ-UHFFFAOYSA-N
MW307.47 g/mol
LogP4.48
Rot. Bonds5

About N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55045080) has the molecular formula C13H13N3S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID55045080
Molecular FormulaC13H13N3S3
Molecular Weight307.47 g/mol
Exact Mass307.03
IUPAC NameN-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cccs2)nc2sccc12
InChIInChI=1S/C13H13N3S3/c1-2-14-12-9-5-7-18-13(9)16-10(15-12)8-19-11-4-3-6-17-11/h3-7H,2,8H2,1H3,(H,14,15,16)
InChIKeyGKWPTKJFSHTMSQ-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 55045080) is N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CSc2cccs2)nc2sccc12.
What is the InChIKey of N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GKWPTKJFSHTMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S3/c1-2-14-12-9-5-7-18-13(9)16-10(15-12)8-19-11-4-3-6-17-11/h3-7H,2,8H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55045080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).