2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine

C15H18FN7 — CID 121275134

IUPAC2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine
SMILESNN=Nc1ncc(CN2CCC(c3cncc(F)c3)CC2)cn1
InChIInChI=1S/C15H18FN7/c16-14-5-13(8-18-9-14)12-1-3-23(4-2-12)10-11-6-19-15(20-7-11)21-22-17/h5-9,12H,1-4,10H2,(H2,17,19,20,21)
InChIKeyOUJWYYIJTRHWOT-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.35
Rot. Bonds4

About 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine

2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 121275134) has the molecular formula C15H18FN7 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID121275134
Molecular FormulaC15H18FN7
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine
SMILESNN=Nc1ncc(CN2CCC(c3cncc(F)c3)CC2)cn1
InChIInChI=1S/C15H18FN7/c16-14-5-13(8-18-9-14)12-1-3-23(4-2-12)10-11-6-19-15(20-7-11)21-22-17/h5-9,12H,1-4,10H2,(H2,17,19,20,21)
InChIKeyOUJWYYIJTRHWOT-UHFFFAOYSA-N
XLogP2.35
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine (CID 121275134) is 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine is NN=Nc1ncc(CN2CCC(c3cncc(F)c3)CC2)cn1.
What is the InChIKey of 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is OUJWYYIJTRHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7/c16-14-5-13(8-18-9-14)12-1-3-23(4-2-12)10-11-6-19-15(20-7-11)21-22-17/h5-9,12H,1-4,10H2,(H2,17,19,20,21).
What are the key properties of 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine?
2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 315.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)-5-[[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 121275134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).