N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine

C11H9FN6 — CID 136997153

IUPACN-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cn[nH]c2ncn1Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN6/c12-7-1-3-8(4-2-7)17-18-6-14-11-9(10(18)13)5-15-16-11/h1-6,13,17H,(H,15,16)/b13-10+
InChIKeyZZHRNZHYJYEWQH-JLHYYAGUSA-N
MW244.23 g/mol
LogP1.25
Rot. Bonds2

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

N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine (PubChem CID 136997153) has the molecular formula C11H9FN6 and a molecular weight of 244.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine
PubChem CID136997153
Molecular FormulaC11H9FN6
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC NameN-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cn[nH]c2ncn1Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN6/c12-7-1-3-8(4-2-7)17-18-6-14-11-9(10(18)13)5-15-16-11/h1-6,13,17H,(H,15,16)/b13-10+
InChIKeyZZHRNZHYJYEWQH-JLHYYAGUSA-N
XLogP1.25
TPSA82.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine (CID 136997153) is N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine is [H]/N=c1\c2cn[nH]c2ncn1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is ZZHRNZHYJYEWQH-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H9FN6/c12-7-1-3-8(4-2-7)17-18-6-14-11-9(10(18)13)5-15-16-11/h1-6,13,17H,(H,15,16)/b13-10+.
What are the key properties of N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 244.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-imino-1H-pyrazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 136997153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).