4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C27H28FN5OS — CID 4832513

IUPAC4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESFc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)CC2)cc1
InChIInChI=1S/C27H28FN5OS/c28-21-6-8-22(9-7-21)32-10-12-33(13-11-32)26-25-23(20-4-2-1-3-5-20)19-35-27(25)30-24(29-26)18-31-14-16-34-17-15-31/h1-9,19H,10-18H2
InChIKeyGMIMVSZEPYEDIB-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.66
Rot. Bonds5

About 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 4832513) has the molecular formula C27H28FN5OS and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID4832513
Molecular FormulaC27H28FN5OS
Molecular Weight489.62 g/mol
Exact Mass489.20
IUPAC Name4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESFc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)CC2)cc1
InChIInChI=1S/C27H28FN5OS/c28-21-6-8-22(9-7-21)32-10-12-33(13-11-32)26-25-23(20-4-2-1-3-5-20)19-35-27(25)30-24(29-26)18-31-14-16-34-17-15-31/h1-9,19H,10-18H2
InChIKeyGMIMVSZEPYEDIB-UHFFFAOYSA-N
XLogP4.66
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 4832513) is 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Fc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)CC2)cc1.
What is the InChIKey of 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is GMIMVSZEPYEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5OS/c28-21-6-8-22(9-7-21)32-10-12-33(13-11-32)26-25-23(20-4-2-1-3-5-20)19-35-27(25)30-24(29-26)18-31-14-16-34-17-15-31/h1-9,19H,10-18H2.
What are the key properties of 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 489.62 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 4832513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).