4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine

C14H12N2O2S — CID 2116133

IUPAC4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESCOc1cccc(COc2ncnc3sccc23)c1
InChIInChI=1S/C14H12N2O2S/c1-17-11-4-2-3-10(7-11)8-18-13-12-5-6-19-14(12)16-9-15-13/h2-7,9H,8H2,1H3
InChIKeySRWHJCOKKRSKJQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.28
Rot. Bonds4

About 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine

4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine (PubChem CID 2116133) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine
PubChem CID2116133
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESCOc1cccc(COc2ncnc3sccc23)c1
InChIInChI=1S/C14H12N2O2S/c1-17-11-4-2-3-10(7-11)8-18-13-12-5-6-19-14(12)16-9-15-13/h2-7,9H,8H2,1H3
InChIKeySRWHJCOKKRSKJQ-UHFFFAOYSA-N
XLogP3.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine (CID 2116133) is 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine is COc1cccc(COc2ncnc3sccc23)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine?
The InChIKey is SRWHJCOKKRSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-11-4-2-3-10(7-11)8-18-13-12-5-6-19-14(12)16-9-15-13/h2-7,9H,8H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine?
4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine has a molecular weight of 272.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2116133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).