N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H7F2N5 — CID 42226838

IUPACN-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]ncc23)c(F)c1
InChIInChI=1S/C11H7F2N5/c12-6-1-2-9(8(13)3-6)17-10-7-4-16-18-11(7)15-5-14-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyZQLBIQYFDNWVHG-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.37
Rot. Bonds2

About N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 42226838) has the molecular formula C11H7F2N5 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID42226838
Molecular FormulaC11H7F2N5
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC NameN-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3[nH]ncc23)c(F)c1
InChIInChI=1S/C11H7F2N5/c12-6-1-2-9(8(13)3-6)17-10-7-4-16-18-11(7)15-5-14-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyZQLBIQYFDNWVHG-UHFFFAOYSA-N
XLogP2.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211266
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305144
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684894
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133295919

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 42226838) is N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3[nH]ncc23)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZQLBIQYFDNWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5/c12-6-1-2-9(8(13)3-6)17-10-7-4-16-18-11(7)15-5-14-10/h1-5H,(H2,14,15,16,17,18).
What are the key properties of N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 247.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42226838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).