4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol

C18H20N4OS — CID 72841751

IUPAC4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3nc(C)nc4ccsc34)CC2)nc1
InChIInChI=1S/C18H20N4OS/c1-12-3-4-15(19-11-12)18(23)6-8-22(9-7-18)17-16-14(5-10-24-16)20-13(2)21-17/h3-5,10-11,23H,6-9H2,1-2H3
InChIKeyHAQWYOHBBXKJQE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.19
Rot. Bonds2

About 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol

4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol (PubChem CID 72841751) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
PubChem CID72841751
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3nc(C)nc4ccsc34)CC2)nc1
InChIInChI=1S/C18H20N4OS/c1-12-3-4-15(19-11-12)18(23)6-8-22(9-7-18)17-16-14(5-10-24-16)20-13(2)21-17/h3-5,10-11,23H,6-9H2,1-2H3
InChIKeyHAQWYOHBBXKJQE-UHFFFAOYSA-N
XLogP3.19
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol (CID 72841751) is 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol is Cc1ccc(C2(O)CCN(c3nc(C)nc4ccsc34)CC2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol?
The InChIKey is HAQWYOHBBXKJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-3-4-15(19-11-12)18(23)6-8-22(9-7-18)17-16-14(5-10-24-16)20-13(2)21-17/h3-5,10-11,23H,6-9H2,1-2H3.
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol?
4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol has a molecular weight of 340.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 72841751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).