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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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386
4-[(1E)-{2-[1-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 90759135
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662

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).