4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine

C24H23N3O3S — CID 53301493

IUPAC4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2sc3ccc(OC)cc3c2-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C24H23N3O3S/c1-28-18-5-3-4-16(12-18)23-22(20-13-19(29-2)6-7-21(20)31-23)17-14-25-24(26-15-17)27-8-10-30-11-9-27/h3-7,12-15H,8-11H2,1-2H3
InChIKeyVLGFLKBMYNRSSF-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.88
Rot. Bonds5

About 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine

4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 53301493) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine
PubChem CID53301493
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2sc3ccc(OC)cc3c2-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C24H23N3O3S/c1-28-18-5-3-4-16(12-18)23-22(20-13-19(29-2)6-7-21(20)31-23)17-14-25-24(26-15-17)27-8-10-30-11-9-27/h3-7,12-15H,8-11H2,1-2H3
InChIKeyVLGFLKBMYNRSSF-UHFFFAOYSA-N
XLogP4.88
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine (CID 53301493) is 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine is COc1cccc(-c2sc3ccc(OC)cc3c2-c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is VLGFLKBMYNRSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-28-18-5-3-4-16(12-18)23-22(20-13-19(29-2)6-7-21(20)31-23)17-14-25-24(26-15-17)27-8-10-30-11-9-27/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine?
4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 433.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 53301493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).