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

C16H12N4S2 — CID 944383

IUPACN-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3scc(-c4cccs4)c23)nc1
InChIInChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeyUNZVMUFMYNIQFQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.43
Rot. Bonds4

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

N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 944383) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID944383
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC NameN-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3scc(-c4cccs4)c23)nc1
InChIInChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeyUNZVMUFMYNIQFQ-UHFFFAOYSA-N
XLogP4.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 944383) is N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3scc(-c4cccs4)c23)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UNZVMUFMYNIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-2-6-17-11(4-1)8-18-15-14-12(13-5-3-7-21-13)9-22-16(14)20-10-19-15/h1-7,9-10H,8H2,(H,18,19,20).
What are the key properties of N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 944383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).