N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H8BrClFN5 — CID 106193592

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2nc(Cl)nc3[nH]ncc23)c1
InChIInChI=1S/C12H8BrClFN5/c13-9-2-1-7(15)3-6(9)4-16-10-8-5-17-20-11(8)19-12(14)18-10/h1-3,5H,4H2,(H2,16,17,18,19,20)
InChIKeyXFZXJQZBZDYOQH-UHFFFAOYSA-N
MW356.59 g/mol
LogP3.52
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 106193592) has the molecular formula C12H8BrClFN5 and a molecular weight of 356.59 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID106193592
Molecular FormulaC12H8BrClFN5
Molecular Weight356.59 g/mol
Exact Mass354.96
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2nc(Cl)nc3[nH]ncc23)c1
InChIInChI=1S/C12H8BrClFN5/c13-9-2-1-7(15)3-6(9)4-16-10-8-5-17-20-11(8)19-12(14)18-10/h1-3,5H,4H2,(H2,16,17,18,19,20)
InChIKeyXFZXJQZBZDYOQH-UHFFFAOYSA-N
XLogP3.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71945239
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620
6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114111933
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 82748227
6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106195516
1-(2-bromo-5-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54902511
6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114840488
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193591
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39826609

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 106193592) is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(Br)c(CNc2nc(Cl)nc3[nH]ncc23)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XFZXJQZBZDYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN5/c13-9-2-1-7(15)3-6(9)4-16-10-8-5-17-20-11(8)19-12(14)18-10/h1-3,5H,4H2,(H2,16,17,18,19,20).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 356.59 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 106193592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).