5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine

C18H16N4 — CID 4714117

IUPAC5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
SMILESCC(=NNc1ncc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C18H16N4/c1-14(15-8-4-2-5-9-15)21-22-18-19-12-17(13-20-18)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20,22)
InChIKeyBSTYXVIABYMLFN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.98
Rot. Bonds4

About 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine

5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine (PubChem CID 4714117) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
PubChem CID4714117
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
SMILESCC(=NNc1ncc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C18H16N4/c1-14(15-8-4-2-5-9-15)21-22-18-19-12-17(13-20-18)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20,22)
InChIKeyBSTYXVIABYMLFN-UHFFFAOYSA-N
XLogP3.98
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine?
The IUPAC name of 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine (CID 4714117) is 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine?
The canonical SMILES for 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine is CC(=NNc1ncc(-c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine?
The InChIKey is BSTYXVIABYMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-14(15-8-4-2-5-9-15)21-22-18-19-12-17(13-20-18)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20,22).
What are the key properties of 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine?
5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine is sourced from PubChem (CID 4714117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).