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

C17H12F3N5S — CID 56928438

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)22-15-14-12(6-7-26-14)21-16(23-15)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyKMGOZFHHFVEAQE-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.75
Rot. Bonds4

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

2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 56928438) has the molecular formula C17H12F3N5S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID56928438
Molecular FormulaC17H12F3N5S
Molecular Weight375.38 g/mol
Exact Mass375.08
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)22-15-14-12(6-7-26-14)21-16(23-15)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyKMGOZFHHFVEAQE-UHFFFAOYSA-N
XLogP4.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 56928438) is 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KMGOZFHHFVEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5S/c1-9-8-13(25-24-9)22-15-14-12(6-7-26-14)21-16(23-15)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 375.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56928438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).