4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine

C17H15N5 — CID 5332852

IUPAC4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2cccnc2)n1
InChIInChI=1S/C17H15N5/c1-13-10-16(15-7-3-2-4-8-15)21-17(20-13)22-19-12-14-6-5-9-18-11-14/h2-12H,1H3,(H,20,21,22)/b19-12+
InChIKeyBEJMVOUEFRZVNC-XDHOZWIPSA-N
MW289.34 g/mol
LogP3.29
Rot. Bonds4

About 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine

4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine (PubChem CID 5332852) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
PubChem CID5332852
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2cccnc2)n1
InChIInChI=1S/C17H15N5/c1-13-10-16(15-7-3-2-4-8-15)21-17(20-13)22-19-12-14-6-5-9-18-11-14/h2-12H,1H3,(H,20,21,22)/b19-12+
InChIKeyBEJMVOUEFRZVNC-XDHOZWIPSA-N
XLogP3.29
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.29
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 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine (CID 5332852) is 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is Cc1cc(-c2ccccc2)nc(N/N=C/c2cccnc2)n1.
What is the InChIKey of 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine?
The InChIKey is BEJMVOUEFRZVNC-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N5/c1-13-10-16(15-7-3-2-4-8-15)21-17(20-13)22-19-12-14-6-5-9-18-11-14/h2-12H,1H3,(H,20,21,22)/b19-12+.
What are the key properties of 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine?
4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 5332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).