2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol

C17H15BrFN7OS — CID 164855100

IUPAC2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C17H15BrFN7OS/c1-17(2,27)12-4-3-9(19)10(21-12)5-26-6-11(24-25-26)14-15-13(8(18)7-28-15)22-16(20)23-14/h3-4,6-7,27H,5H2,1-2H3,(H2,20,22,23)
InChIKeyNYXJDGDFOYJIEM-UHFFFAOYSA-N
MW464.32 g/mol
LogP3.10
Rot. Bonds4

About 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol

2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol (PubChem CID 164855100) has the molecular formula C17H15BrFN7OS and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol
PubChem CID164855100
Molecular FormulaC17H15BrFN7OS
Molecular Weight464.32 g/mol
Exact Mass463.02
IUPAC Name2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C17H15BrFN7OS/c1-17(2,27)12-4-3-9(19)10(21-12)5-26-6-11(24-25-26)14-15-13(8(18)7-28-15)22-16(20)23-14/h3-4,6-7,27H,5H2,1-2H3,(H2,20,22,23)
InChIKeyNYXJDGDFOYJIEM-UHFFFAOYSA-N
XLogP3.10
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

CID 164855055
CID 164855055
CID 164855089
CID 164855089
CID 164855101
CID 164855101
CID 164855106
CID 164855106
CID 164855150
CID 164855150
CID 164855166
CID 164855166
CID 168728177
CID 168728177
CID 168849823
CID 168849823
CID 175805168
CID 175805168
CID 176085169
CID 176085169
CID 176085209
CID 176085209
CID 164855057
CID 164855057

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol (CID 164855100) is 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(F)c(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1.
What is the InChIKey of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol?
The InChIKey is NYXJDGDFOYJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN7OS/c1-17(2,27)12-4-3-9(19)10(21-12)5-26-6-11(24-25-26)14-15-13(8(18)7-28-15)22-16(20)23-14/h3-4,6-7,27H,5H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol?
2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol has a molecular weight of 464.32 g/mol, XLogP of 3.10, 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-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-5-fluoro-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).