N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C15H18FN7 — CID 119164290

IUPACN'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(F)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18FN7/c16-12-2-3-13(20-10-12)11-21-14(17)22-6-8-23(9-7-22)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2,(H2,17,21)
InChIKeyTWFIZYGJZQIIQF-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.65
Rot. Bonds3

About N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119164290) has the molecular formula C15H18FN7 and a molecular weight of 315.36 g/mol. Its IUPAC name is N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119164290
Molecular FormulaC15H18FN7
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC NameN'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(F)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18FN7/c16-12-2-3-13(20-10-12)11-21-14(17)22-6-8-23(9-7-22)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2,(H2,17,21)
InChIKeyTWFIZYGJZQIIQF-UHFFFAOYSA-N
XLogP0.65
TPSA83.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[(5-fluoro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 119164304
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[(2-bromophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118180
N'-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122096660
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
N'-[2-(4-fluorophenyl)sulfonylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119164664
4-pyrimidin-2-yl-N'-(quinolin-8-ylmethyl)piperazine-1-carboximidamide
CID 119120834
N'-[(5-methylthiophen-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118304
N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119147865
4-pyrimidin-2-yl-N'-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119121480
N'-[(2-methoxy-3-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118449

Frequently Asked Questions

What is the IUPAC name of N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119164290) is N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\Cc1ccc(F)cn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is TWFIZYGJZQIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7/c16-12-2-3-13(20-10-12)11-21-14(17)22-6-8-23(9-7-22)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2,(H2,17,21).
What are the key properties of N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 315.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-fluoro-2-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119164290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).