5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide

C17H15N7 — CID 46225710

IUPAC5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ncc(-c3ccc(/C(N)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C17H15N7/c18-15(19)10-1-3-11(4-2-10)17-23-8-13(9-24-17)12-5-6-14(16(20)21)22-7-12/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyLPDPLFFUXJCADW-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.77
Rot. Bonds4

About 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide

5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide (PubChem CID 46225710) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
PubChem CID46225710
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ncc(-c3ccc(/C(N)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C17H15N7/c18-15(19)10-1-3-11(4-2-10)17-23-8-13(9-24-17)12-5-6-14(16(20)21)22-7-12/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyLPDPLFFUXJCADW-UHFFFAOYSA-N
XLogP1.77
TPSA138.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide?
The IUPAC name of 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide (CID 46225710) is 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ncc(-c3ccc(/C(N)=N/[H])nc3)cn2)cc1.
What is the InChIKey of 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide?
The InChIKey is LPDPLFFUXJCADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-15(19)10-1-3-11(4-2-10)17-23-8-13(9-24-17)12-5-6-14(16(20)21)22-7-12/h1-9H,(H3,18,19)(H3,20,21).
What are the key properties of 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide?
5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide has a molecular weight of 317.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 46225710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).