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

C18H20N4OS — CID 71931211

IUPAC[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C18H20N4OS/c19-18(11-23)6-8-22(9-7-18)16-15-14(13-4-2-1-3-5-13)10-24-17(15)21-12-20-16/h1-5,10,12,23H,6-9,11,19H2
InChIKeyBZDOGLZXEFMVGJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.65
Rot. Bonds3

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

[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 71931211) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID71931211
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C18H20N4OS/c19-18(11-23)6-8-22(9-7-18)16-15-14(13-4-2-1-3-5-13)10-24-17(15)21-12-20-16/h1-5,10,12,23H,6-9,11,19H2
InChIKeyBZDOGLZXEFMVGJ-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (CID 71931211) is [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is NC1(CO)CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is BZDOGLZXEFMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c19-18(11-23)6-8-22(9-7-18)16-15-14(13-4-2-1-3-5-13)10-24-17(15)21-12-20-16/h1-5,10,12,23H,6-9,11,19H2.
What are the key properties of [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 340.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 71931211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).