6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

C20H20N4O — CID 69127762

IUPAC6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(NN=CCc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H20N4O/c1-15-7-9-16(10-8-15)11-12-23-24-20-13-18(21-14-22-20)17-5-3-4-6-19(17)25-2/h3-10,12-14H,11H2,1-2H3,(H,21,22,24)
InChIKeyRYQTZGBEQBIPCI-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.10
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (PubChem CID 69127762) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
PubChem CID69127762
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(NN=CCc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H20N4O/c1-15-7-9-16(10-8-15)11-12-23-24-20-13-18(21-14-22-20)17-5-3-4-6-19(17)25-2/h3-10,12-14H,11H2,1-2H3,(H,21,22,24)
InChIKeyRYQTZGBEQBIPCI-UHFFFAOYSA-N
XLogP4.10
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.10
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 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (CID 69127762) is 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is COc1ccccc1-c1cc(NN=CCc2ccc(C)cc2)ncn1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The InChIKey is RYQTZGBEQBIPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-7-9-16(10-8-15)11-12-23-24-20-13-18(21-14-22-20)17-5-3-4-6-19(17)25-2/h3-10,12-14H,11H2,1-2H3,(H,21,22,24).
What are the key properties of 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 69127762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).