4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine

C19H14N2O2S — CID 705979

IUPAC4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C19H14N2O2S/c1-22-14-8-5-9-15(10-14)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)21-12-20-18/h2-12H,1H3
InChIKeyKZXRVEZIPUEDMI-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.16
Rot. Bonds4

About 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine

4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 705979) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine
PubChem CID705979
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1
InChIInChI=1S/C19H14N2O2S/c1-22-14-8-5-9-15(10-14)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)21-12-20-18/h2-12H,1H3
InChIKeyKZXRVEZIPUEDMI-UHFFFAOYSA-N
XLogP5.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine (CID 705979) is 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine is COc1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is KZXRVEZIPUEDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-22-14-8-5-9-15(10-14)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)21-12-20-18/h2-12H,1H3.
What are the key properties of 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine?
4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 334.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 705979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).