2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine

C16H12N6S — CID 10064615

IUPAC2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncn3)c3sccc3n2)n1
InChIInChI=1S/C16H12N6S/c1-10-3-2-4-12(19-10)15-20-11-6-8-23-14(11)16(22-15)21-13-5-7-17-9-18-13/h2-9H,1H3,(H,17,18,20,21,22)
InChIKeyOEBDJVDLTMRYBT-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.60
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine

2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10064615) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10064615
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncn3)c3sccc3n2)n1
InChIInChI=1S/C16H12N6S/c1-10-3-2-4-12(19-10)15-20-11-6-8-23-14(11)16(22-15)21-13-5-7-17-9-18-13/h2-9H,1H3,(H,17,18,20,21,22)
InChIKeyOEBDJVDLTMRYBT-UHFFFAOYSA-N
XLogP3.60
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine (CID 10064615) is 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine is Cc1cccc(-c2nc(Nc3ccncn3)c3sccc3n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OEBDJVDLTMRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-10-3-2-4-12(19-10)15-20-11-6-8-23-14(11)16(22-15)21-13-5-7-17-9-18-13/h2-9H,1H3,(H,17,18,20,21,22).
What are the key properties of 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine?
2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 320.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10064615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).