2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

C18H24N6OS — CID 46995201

IUPAC2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCc1csc2c(N3CCC(Cn4cc(C(C)(C)O)nn4)CC3)ncnc12
InChIInChI=1S/C18H24N6OS/c1-12-10-26-16-15(12)19-11-20-17(16)23-6-4-13(5-7-23)8-24-9-14(21-22-24)18(2,3)25/h9-11,13,25H,4-8H2,1-3H3
InChIKeyXZPNIIKEYNSQSE-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.74
Rot. Bonds4

About 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 46995201) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID46995201
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCc1csc2c(N3CCC(Cn4cc(C(C)(C)O)nn4)CC3)ncnc12
InChIInChI=1S/C18H24N6OS/c1-12-10-26-16-15(12)19-11-20-17(16)23-6-4-13(5-7-23)8-24-9-14(21-22-24)18(2,3)25/h9-11,13,25H,4-8H2,1-3H3
InChIKeyXZPNIIKEYNSQSE-UHFFFAOYSA-N
XLogP2.74
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (CID 46995201) is 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is Cc1csc2c(N3CCC(Cn4cc(C(C)(C)O)nn4)CC3)ncnc12.
What is the InChIKey of 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is XZPNIIKEYNSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12-10-26-16-15(12)19-11-20-17(16)23-6-4-13(5-7-23)8-24-9-14(21-22-24)18(2,3)25/h9-11,13,25H,4-8H2,1-3H3.
What are the key properties of 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol has a molecular weight of 372.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 46995201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).