N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine

C16H13N5 — CID 2824458

IUPACN-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
SMILESC(=NNc1nccc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-12H,(H,18,20,21)
InChIKeyTYPRPJGWYUVYKS-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds4

About N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine

N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 2824458) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID2824458
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC NameN-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
SMILESC(=NNc1nccc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-12H,(H,18,20,21)
InChIKeyTYPRPJGWYUVYKS-UHFFFAOYSA-N
XLogP2.98
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine (CID 2824458) is N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine is C(=NNc1nccc(-c2cccnc2)n1)c1ccccc1.
What is the InChIKey of N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is TYPRPJGWYUVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-12H,(H,18,20,21).
What are the key properties of N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine?
N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 2824458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).