4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine

C19H18N4 — CID 5338865

IUPAC4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H18N4/c1-14-13-18(17-11-7-4-8-12-17)21-19(20-14)23-22-15(2)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,20,21,23)/b22-15+
InChIKeyCAIOAFRWOLEVOM-PXLXIMEGSA-N
MW302.38 g/mol
LogP4.29
Rot. Bonds4

About 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine

4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine (PubChem CID 5338865) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine
PubChem CID5338865
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H18N4/c1-14-13-18(17-11-7-4-8-12-17)21-19(20-14)23-22-15(2)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,20,21,23)/b22-15+
InChIKeyCAIOAFRWOLEVOM-PXLXIMEGSA-N
XLogP4.29
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.29
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 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine (CID 5338865) is 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine is C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine?
The InChIKey is CAIOAFRWOLEVOM-PXLXIMEGSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-13-18(17-11-7-4-8-12-17)21-19(20-14)23-22-15(2)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,20,21,23)/b22-15+.
What are the key properties of 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine?
4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-N-[(E)-1-phenylethylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 5338865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).