2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C18H14N4S — CID 141105810

IUPAC2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2cc(-c3ccccc3)ccn2)nc2sccc12
InChIInChI=1S/C18H14N4S/c19-17-15-7-9-23-18(15)22-16(21-17)11-14-10-13(6-8-20-14)12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21,22)
InChIKeyZRHQGOIVYYVGAX-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.93
Rot. Bonds3

About 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 141105810) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID141105810
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2cc(-c3ccccc3)ccn2)nc2sccc12
InChIInChI=1S/C18H14N4S/c19-17-15-7-9-23-18(15)22-16(21-17)11-14-10-13(6-8-20-14)12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21,22)
InChIKeyZRHQGOIVYYVGAX-UHFFFAOYSA-N
XLogP3.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 141105810) is 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2cc(-c3ccccc3)ccn2)nc2sccc12.
What is the InChIKey of 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZRHQGOIVYYVGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c19-17-15-7-9-23-18(15)22-16(21-17)11-14-10-13(6-8-20-14)12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,21,22).
What are the key properties of 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).