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

C16H10F3N5S — CID 56928337

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3ccsc3n2)cc1
InChIInChI=1S/C16H10F3N5S/c17-10-3-1-9(2-4-10)16(18,19)15-22-13(21-12-5-7-20-24-12)11-6-8-25-14(11)23-15/h1-8H,(H2,20,21,22,23,24)
InChIKeyLEVCHOQZWZJIBO-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.44
Rot. Bonds4

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

2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 56928337) has the molecular formula C16H10F3N5S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID56928337
Molecular FormulaC16H10F3N5S
Molecular Weight361.35 g/mol
Exact Mass361.06
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3ccsc3n2)cc1
InChIInChI=1S/C16H10F3N5S/c17-10-3-1-9(2-4-10)16(18,19)15-22-13(21-12-5-7-20-24-12)11-6-8-25-14(11)23-15/h1-8H,(H2,20,21,22,23,24)
InChIKeyLEVCHOQZWZJIBO-UHFFFAOYSA-N
XLogP4.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.44
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-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 56928337) is 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(C(F)(F)c2nc(Nc3ccn[nH]3)c3ccsc3n2)cc1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LEVCHOQZWZJIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5S/c17-10-3-1-9(2-4-10)16(18,19)15-22-13(21-12-5-7-20-24-12)11-6-8-25-14(11)23-15/h1-8H,(H2,20,21,22,23,24).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.35 g/mol, XLogP of 4.44, 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-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56928337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).