2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

C17H17N7OS — CID 164855057

IUPAC2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4ccsc34)nn2)n1
InChIInChI=1S/C17H17N7OS/c1-17(2,25)13-5-3-4-10(19-13)8-24-9-12(22-23-24)14-15-11(6-7-26-15)20-16(18)21-14/h3-7,9,25H,8H2,1-2H3,(H2,18,20,21)
InChIKeyUFBAYBVAELVAHH-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.20
Rot. Bonds4

About 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164855057) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164855057
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4ccsc34)nn2)n1
InChIInChI=1S/C17H17N7OS/c1-17(2,25)13-5-3-4-10(19-13)8-24-9-12(22-23-24)14-15-11(6-7-26-15)20-16(18)21-14/h3-7,9,25H,8H2,1-2H3,(H2,18,20,21)
InChIKeyUFBAYBVAELVAHH-UHFFFAOYSA-N
XLogP2.20
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164855057) is 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4ccsc34)nn2)n1.
What is the InChIKey of 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is UFBAYBVAELVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c1-17(2,25)13-5-3-4-10(19-13)8-24-9-12(22-23-24)14-15-11(6-7-26-15)20-16(18)21-14/h3-7,9,25H,8H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 367.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-aminothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).