N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine

C13H10FN5 — CID 796100

IUPACN-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C13H10FN5/c14-10-3-1-4-11(7-10)18-12-8-13(16-9-15-12)19-6-2-5-17-19/h1-9H,(H,15,16,18)
InChIKeyBIKLNZVXIPYGJC-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.55
Rot. Bonds3

About N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine

N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796100) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796100
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC NameN-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESFc1cccc(Nc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C13H10FN5/c14-10-3-1-4-11(7-10)18-12-8-13(16-9-15-12)19-6-2-5-17-19/h1-9H,(H,15,16,18)
InChIKeyBIKLNZVXIPYGJC-UHFFFAOYSA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine (CID 796100) is N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine is Fc1cccc(Nc2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is BIKLNZVXIPYGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-10-3-1-4-11(7-10)18-12-8-13(16-9-15-12)19-6-2-5-17-19/h1-9H,(H,15,16,18).
What are the key properties of N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 255.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).