6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

C16H11N5OS — CID 122178115

IUPAC6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1
InChIInChI=1S/C16H11N5OS/c1-22-16-18-7-11(8-19-16)13-6-12-14(10-2-4-17-5-3-10)20-9-21-15(12)23-13/h2-9H,1H3
InChIKeyXUBIZYCQTFHBQS-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.22
Rot. Bonds3

About 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine

6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (PubChem CID 122178115) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
PubChem CID122178115
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILESCOc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1
InChIInChI=1S/C16H11N5OS/c1-22-16-18-7-11(8-19-16)13-6-12-14(10-2-4-17-5-3-10)20-9-21-15(12)23-13/h2-9H,1H3
InChIKeyXUBIZYCQTFHBQS-UHFFFAOYSA-N
XLogP3.22
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine (CID 122178115) is 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cn1.
What is the InChIKey of 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
The InChIKey is XUBIZYCQTFHBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-22-16-18-7-11(8-19-16)13-6-12-14(10-2-4-17-5-3-10)20-9-21-15(12)23-13/h2-9H,1H3.
What are the key properties of 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine?
6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine has a molecular weight of 321.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypyrimidin-5-yl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 122178115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).