[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol

C23H28N4OS — CID 127034686

IUPAC[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H28N4OS/c28-14-19-7-4-10-27(19)13-17-8-11-26(12-9-17)22-21-20(18-5-2-1-3-6-18)15-29-23(21)25-16-24-22/h1-3,5-6,15-17,19,28H,4,7-14H2
InChIKeySVYXTYIVXDKQGY-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.03
Rot. Bonds5

About [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 127034686) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID127034686
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H28N4OS/c28-14-19-7-4-10-27(19)13-17-8-11-26(12-9-17)22-21-20(18-5-2-1-3-6-18)15-29-23(21)25-16-24-22/h1-3,5-6,15-17,19,28H,4,7-14H2
InChIKeySVYXTYIVXDKQGY-UHFFFAOYSA-N
XLogP4.03
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 127034686) is [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is SVYXTYIVXDKQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c28-14-19-7-4-10-27(19)13-17-8-11-26(12-9-17)22-21-20(18-5-2-1-3-6-18)15-29-23(21)25-16-24-22/h1-3,5-6,15-17,19,28H,4,7-14H2.
What are the key properties of [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 408.57 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 127034686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).