N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide

C14H11N5 — CID 13382934

IUPACN'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide
SMILESN/C=N/c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C14H11N5/c15-9-17-13-10-5-1-2-6-11(10)18-14(19-13)12-7-3-4-8-16-12/h1-9H,(H2,15,17,18,19)
InChIKeyLRBOTYSCDLJVPS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.31
Rot. Bonds2

About N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide

N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide (PubChem CID 13382934) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide
PubChem CID13382934
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC NameN'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide
SMILESN/C=N/c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C14H11N5/c15-9-17-13-10-5-1-2-6-11(10)18-14(19-13)12-7-3-4-8-16-12/h1-9H,(H2,15,17,18,19)
InChIKeyLRBOTYSCDLJVPS-UHFFFAOYSA-N
XLogP2.31
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide?
The IUPAC name of N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide (CID 13382934) is N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide.
What is the SMILES notation for N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide?
The canonical SMILES for N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide is N/C=N/c1nc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide?
The InChIKey is LRBOTYSCDLJVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-9-17-13-10-5-1-2-6-11(10)18-14(19-13)12-7-3-4-8-16-12/h1-9H,(H2,15,17,18,19).
What are the key properties of N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide?
N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide has a molecular weight of 249.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide is sourced from PubChem (CID 13382934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).