N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H16N4OS2 — CID 17492880

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3scc(-c4cccs4)c23)cn1
InChIInChI=1S/C18H16N4OS2/c1-11-21-17(20-9-12-5-6-15(23-2)19-8-12)16-13(10-25-18(16)22-11)14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,20,21,22)
InChIKeyWSBZUTUHRFJFRE-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.74
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 17492880) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID17492880
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3scc(-c4cccs4)c23)cn1
InChIInChI=1S/C18H16N4OS2/c1-11-21-17(20-9-12-5-6-15(23-2)19-8-12)16-13(10-25-18(16)22-11)14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,20,21,22)
InChIKeyWSBZUTUHRFJFRE-UHFFFAOYSA-N
XLogP4.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 17492880) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(C)nc3scc(-c4cccs4)c23)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WSBZUTUHRFJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-11-21-17(20-9-12-5-6-15(23-2)19-8-12)16-13(10-25-18(16)22-11)14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17492880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).