4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine

C16H18N4 — CID 5424411

IUPAC4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine
SMILESCC(/C=C/c1ccccc1)=N\Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H18N4/c1-12(9-10-15-7-5-4-6-8-15)19-20-16-17-13(2)11-14(3)18-16/h4-11H,1-3H3,(H,17,18,20)/b10-9+,19-12+
InChIKeyLKNGYKNEBTZMJN-PAADAATBSA-N
MW266.35 g/mol
LogP3.59
Rot. Bonds4

About 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine (PubChem CID 5424411) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine
PubChem CID5424411
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine
SMILESCC(/C=C/c1ccccc1)=N\Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H18N4/c1-12(9-10-15-7-5-4-6-8-15)19-20-16-17-13(2)11-14(3)18-16/h4-11H,1-3H3,(H,17,18,20)/b10-9+,19-12+
InChIKeyLKNGYKNEBTZMJN-PAADAATBSA-N
XLogP3.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.59
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 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine (CID 5424411) is 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine is CC(/C=C/c1ccccc1)=N\Nc1nc(C)cc(C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine?
The InChIKey is LKNGYKNEBTZMJN-PAADAATBSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(9-10-15-7-5-4-6-8-15)19-20-16-17-13(2)11-14(3)18-16/h4-11H,1-3H3,(H,17,18,20)/b10-9+,19-12+.
What are the key properties of 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrimidin-2-amine is sourced from PubChem (CID 5424411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).