6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

C17H12N4OS — CID 122178114

IUPAC6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1
InChIInChI=1S/C17H12N4OS/c1-22-15-3-2-12(9-19-15)14-8-13-16(11-4-6-18-7-5-11)20-10-21-17(13)23-14/h2-10H,1H3
InChIKeyAPWKZDXFFJUGSQ-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.82
Rot. Bonds3

About 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (PubChem CID 122178114) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
PubChem CID122178114
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1
InChIInChI=1S/C17H12N4OS/c1-22-15-3-2-12(9-19-15)14-8-13-16(11-4-6-18-7-5-11)20-10-21-17(13)23-14/h2-10H,1H3
InChIKeyAPWKZDXFFJUGSQ-UHFFFAOYSA-N
XLogP3.82
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (CID 122178114) is 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is COc1ccc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The InChIKey is APWKZDXFFJUGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-22-15-3-2-12(9-19-15)14-8-13-16(11-4-6-18-7-5-11)20-10-21-17(13)23-14/h2-10H,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine has a molecular weight of 320.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 122178114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).