5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C15H11N3S3 — CID 68623816

IUPAC5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(CNc2ncnc3scc(-c4cccs4)c23)c1
InChIInChI=1S/C15H11N3S3/c1-3-10(19-5-1)7-16-14-13-11(12-4-2-6-20-12)8-21-15(13)18-9-17-14/h1-6,8-9H,7H2,(H,16,17,18)
InChIKeyYSUXSZQQQZJBGA-UHFFFAOYSA-N
MW329.47 g/mol
LogP5.09
Rot. Bonds4

About 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68623816) has the molecular formula C15H11N3S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68623816
Molecular FormulaC15H11N3S3
Molecular Weight329.47 g/mol
Exact Mass329.01
IUPAC Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(CNc2ncnc3scc(-c4cccs4)c23)c1
InChIInChI=1S/C15H11N3S3/c1-3-10(19-5-1)7-16-14-13-11(12-4-2-6-20-12)8-21-15(13)18-9-17-14/h1-6,8-9H,7H2,(H,16,17,18)
InChIKeyYSUXSZQQQZJBGA-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 68623816) is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1csc(CNc2ncnc3scc(-c4cccs4)c23)c1.
What is the InChIKey of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YSUXSZQQQZJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S3/c1-3-10(19-5-1)7-16-14-13-11(12-4-2-6-20-12)8-21-15(13)18-9-17-14/h1-6,8-9H,7H2,(H,16,17,18).
What are the key properties of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68623816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).