2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C16H11F3N6S — CID 56928852

IUPAC2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H11F3N6S/c1-8-6-12(25-24-8)22-14-13-10(4-5-26-13)21-15(23-14)16(18,19)11-3-2-9(17)7-20-11/h2-7H,1H3,(H2,21,22,23,24,25)
InChIKeyIWVFJTSSXSZMJI-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.14
Rot. Bonds4

About 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 56928852) has the molecular formula C16H11F3N6S and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID56928852
Molecular FormulaC16H11F3N6S
Molecular Weight376.37 g/mol
Exact Mass376.07
IUPAC Name2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H11F3N6S/c1-8-6-12(25-24-8)22-14-13-10(4-5-26-13)21-15(23-14)16(18,19)11-3-2-9(17)7-20-11/h2-7H,1H3,(H2,21,22,23,24,25)
InChIKeyIWVFJTSSXSZMJI-UHFFFAOYSA-N
XLogP4.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 56928852) is 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IWVFJTSSXSZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6S/c1-8-6-12(25-24-8)22-14-13-10(4-5-26-13)21-15(23-14)16(18,19)11-3-2-9(17)7-20-11/h2-7H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 376.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56928852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).