N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine

C18H14N4S — CID 91319173

IUPACN-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Cc2ccc(Nc3ncnc4sccc34)cn2)cc1
InChIInChI=1S/C18H14N4S/c1-2-4-13(5-3-1)10-14-6-7-15(11-19-14)22-17-16-8-9-23-18(16)21-12-20-17/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyRSGYKHWSYGSIFL-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.42
Rot. Bonds4

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

N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91319173) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91319173
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Cc2ccc(Nc3ncnc4sccc34)cn2)cc1
InChIInChI=1S/C18H14N4S/c1-2-4-13(5-3-1)10-14-6-7-15(11-19-14)22-17-16-8-9-23-18(16)21-12-20-17/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyRSGYKHWSYGSIFL-UHFFFAOYSA-N
XLogP4.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine (CID 91319173) is N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(Cc2ccc(Nc3ncnc4sccc34)cn2)cc1.
What is the InChIKey of N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RSGYKHWSYGSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-4-13(5-3-1)10-14-6-7-15(11-19-14)22-17-16-8-9-23-18(16)21-12-20-17/h1-9,11-12H,10H2,(H,20,21,22).
What are the key properties of N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine?
N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91319173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).