5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide

C17H15N7 — CID 24752329

IUPAC5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cnc(/C(N)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C17H15N7/c18-15(19)11-3-1-10(2-4-11)14-6-5-12(7-22-14)13-8-23-17(16(20)21)24-9-13/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyUGTFNEPYBJRAAT-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.77
Rot. Bonds4

About 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide

5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide (PubChem CID 24752329) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide
PubChem CID24752329
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cnc(/C(N)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C17H15N7/c18-15(19)11-3-1-10(2-4-11)14-6-5-12(7-22-14)13-8-23-17(16(20)21)24-9-13/h1-9H,(H3,18,19)(H3,20,21)
InChIKeyUGTFNEPYBJRAAT-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide?
The IUPAC name of 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide (CID 24752329) is 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide.
What is the SMILES notation for 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide?
The canonical SMILES for 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cnc(/C(N)=N/[H])nc3)cn2)cc1.
What is the InChIKey of 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide?
The InChIKey is UGTFNEPYBJRAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-15(19)11-3-1-10(2-4-11)14-6-5-12(7-22-14)13-8-23-17(16(20)21)24-9-13/h1-9H,(H3,18,19)(H3,20,21).
What are the key properties of 5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide?
5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-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-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide is sourced from PubChem (CID 24752329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).